 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer07_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-178214.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    178215.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer07_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0211713943 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1836597219 Hartrees.
 Leave Link  301 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.12D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.39D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:14:31 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:14:31 2021, MaxMem=  5368709120 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.447368121139    
 DIIS: error= 1.59D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.447368121139     IErMin= 1 ErrMin= 1.59D-03
 ErrMax= 1.59D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.51D-03 BMatP= 9.51D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.59D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 GapD=    0.293 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.89D-02 MaxDP=6.04D+00              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.54D-02    CP:  1.23D+00
 E= -767.454890263213     Delta-E=       -0.007522142073 Rises=F Damp=F
 DIIS: error= 3.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.454890263213     IErMin= 2 ErrMin= 3.37D-04
 ErrMax= 3.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-04 BMatP= 9.51D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.37D-03
 Coeff-Com: -0.273D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.272D-01 0.103D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=8.78D-03 MaxDP=9.02D-01 DE=-7.52D-03 OVMax= 5.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.14D-03    CP:  1.28D+00  1.13D+00
 E= -767.455069529817     Delta-E=       -0.000179266604 Rises=F Damp=F
 DIIS: error= 4.17D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.455069529817     IErMin= 2 ErrMin= 3.37D-04
 ErrMax= 4.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-04 BMatP= 2.06D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.17D-03
 Coeff-Com: -0.381D-01 0.523D+00 0.515D+00
 Coeff-En:   0.000D+00 0.158D-01 0.984D+00
 Coeff:     -0.380D-01 0.521D+00 0.517D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=6.20D-04 MaxDP=6.66D-02 DE=-1.79D-04 OVMax= 1.70D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  1.29D+00  1.14D+00  1.09D+00
 E= -767.455208353347     Delta-E=       -0.000138823531 Rises=F Damp=F
 DIIS: error= 4.37D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.455208353347     IErMin= 4 ErrMin= 4.37D-05
 ErrMax= 4.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.72D-06 BMatP= 2.00D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-02-0.172D-01 0.924D-01 0.928D+00
 Coeff:     -0.341D-02-0.172D-01 0.924D-01 0.928D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.09D-04 MaxDP=3.26D-02 DE=-1.39D-04 OVMax= 1.05D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.99D-05    CP:  1.29D+00  1.15D+00  1.15D+00  1.38D+00
 E= -767.455215758867     Delta-E=       -0.000007405520 Rises=F Damp=F
 DIIS: error= 2.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.455215758867     IErMin= 5 ErrMin= 2.36D-05
 ErrMax= 2.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 4.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.204D-02-0.544D-01-0.142D-01 0.383D+00 0.683D+00
 Coeff:      0.204D-02-0.544D-01-0.142D-01 0.383D+00 0.683D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.77D-05 MaxDP=2.54D-03 DE=-7.41D-06 OVMax= 3.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.97D-05    CP:  1.29D+00  1.15D+00  1.16D+00  1.48D+00  1.13D+00
 E= -767.455217165810     Delta-E=       -0.000001406943 Rises=F Damp=F
 DIIS: error= 9.05D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.455217165810     IErMin= 6 ErrMin= 9.05D-06
 ErrMax= 9.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-07 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-02-0.226D-01-0.185D-01 0.582D-01 0.311D+00 0.671D+00
 Coeff:      0.138D-02-0.226D-01-0.185D-01 0.582D-01 0.311D+00 0.671D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.66D-05 MaxDP=1.71D-03 DE=-1.41D-06 OVMax= 1.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.24D-06    CP:  1.29D+00  1.15D+00  1.16D+00  1.50D+00  1.17D+00
                    CP:  1.20D+00
 E= -767.455217413269     Delta-E=       -0.000000247460 Rises=F Damp=F
 DIIS: error= 4.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.455217413269     IErMin= 7 ErrMin= 4.36D-06
 ErrMax= 4.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-08 BMatP= 1.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-03 0.528D-03-0.431D-02-0.453D-01-0.244D-02 0.264D+00
 Coeff-Com:  0.787D+00
 Coeff:      0.201D-03 0.528D-03-0.431D-02-0.453D-01-0.244D-02 0.264D+00
 Coeff:      0.787D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=1.35D-03 DE=-2.47D-07 OVMax= 1.13D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.58D-06    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.20D+00
                    CP:  1.24D+00  1.30D+00
 E= -767.455217469100     Delta-E=       -0.000000055831 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.455217469100     IErMin= 8 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-09 BMatP= 2.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-03 0.382D-02 0.204D-02-0.229D-01-0.544D-01-0.436D-01
 Coeff-Com:  0.232D+00 0.883D+00
 Coeff:     -0.164D-03 0.382D-02 0.204D-02-0.229D-01-0.544D-01-0.436D-01
 Coeff:      0.232D+00 0.883D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.16D-06 MaxDP=3.49D-04 DE=-5.58D-08 OVMax= 5.91D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.33D-06    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.20D+00
                    CP:  1.27D+00  1.31D+00  1.28D+00
 E= -767.455217478157     Delta-E=       -0.000000009057 Rises=F Damp=F
 DIIS: error= 5.96D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.455217478157     IErMin= 9 ErrMin= 5.96D-07
 ErrMax= 5.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.94D-10 BMatP= 3.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.791D-04 0.137D-02 0.124D-02-0.400D-02-0.212D-01-0.476D-01
 Coeff-Com:  0.643D-02 0.363D+00 0.701D+00
 Coeff:     -0.791D-04 0.137D-02 0.124D-02-0.400D-02-0.212D-01-0.476D-01
 Coeff:      0.643D-02 0.363D+00 0.701D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=8.37D-05 DE=-9.06D-09 OVMax= 1.48D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.74D-07    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.20D+00
                    CP:  1.26D+00  1.33D+00  1.29D+00  1.09D+00
 E= -767.455217478945     Delta-E=       -0.000000000788 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.455217478945     IErMin=10 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.11D-11 BMatP= 5.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-05-0.221D-03 0.409D-04 0.294D-02 0.317D-02-0.755D-02
 Coeff-Com: -0.418D-01-0.467D-01 0.201D+00 0.889D+00
 Coeff:      0.116D-05-0.221D-03 0.409D-04 0.294D-02 0.317D-02-0.755D-02
 Coeff:     -0.418D-01-0.467D-01 0.201D+00 0.889D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.01D-06 MaxDP=8.82D-05 DE=-7.88D-10 OVMax= 7.18D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.15D-07    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.19D+00
                    CP:  1.25D+00  1.32D+00  1.29D+00  1.13D+00  1.21D+00
 E= -767.455217479343     Delta-E=       -0.000000000397 Rises=F Damp=F
 DIIS: error= 5.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.455217479343     IErMin=11 ErrMin= 5.70D-08
 ErrMax= 5.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-12 BMatP= 6.11D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.993D-05-0.249D-03-0.135D-03 0.162D-02 0.362D-02 0.237D-02
 Coeff-Com: -0.169D-01-0.545D-01 0.858D-03 0.338D+00 0.725D+00
 Coeff:      0.993D-05-0.249D-03-0.135D-03 0.162D-02 0.362D-02 0.237D-02
 Coeff:     -0.169D-01-0.545D-01 0.858D-03 0.338D+00 0.725D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=2.11D-05 DE=-3.97D-10 OVMax= 1.53D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.11D-08    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.19D+00
                    CP:  1.25D+00  1.31D+00  1.28D+00  1.15D+00  1.25D+00
                    CP:  1.10D+00
 E= -767.455217479330     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.455217479343     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.93D-13 BMatP= 8.92D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.275D-05-0.467D-04-0.482D-04 0.106D-03 0.703D-03 0.182D-02
 Coeff-Com:  0.144D-03-0.101D-01-0.270D-01-0.719D-02 0.222D+00 0.820D+00
 Coeff:      0.275D-05-0.467D-04-0.482D-04 0.106D-03 0.703D-03 0.182D-02
 Coeff:      0.144D-03-0.101D-01-0.270D-01-0.719D-02 0.222D+00 0.820D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.98D-08 MaxDP=1.93D-06 DE= 1.25D-11 OVMax= 6.66D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.62D-08    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.19D+00
                    CP:  1.25D+00  1.31D+00  1.28D+00  1.14D+00  1.27D+00
                    CP:  1.16D+00  1.03D+00
 E= -767.455217479383     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 8.87D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -767.455217479383     IErMin=13 ErrMin= 8.87D-09
 ErrMax= 8.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-13 BMatP= 8.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.319D-06 0.155D-04 0.180D-05-0.163D-03-0.208D-03 0.332D-03
 Coeff-Com:  0.193D-02 0.340D-02-0.953D-02-0.425D-01-0.239D-01 0.272D+00
 Coeff-Com:  0.799D+00
 Coeff:     -0.319D-06 0.155D-04 0.180D-05-0.163D-03-0.208D-03 0.332D-03
 Coeff:      0.193D-02 0.340D-02-0.953D-02-0.425D-01-0.239D-01 0.272D+00
 Coeff:      0.799D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.73D-08 MaxDP=2.53D-06 DE=-5.25D-11 OVMax= 3.51D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.15D-09    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.19D+00
                    CP:  1.25D+00  1.31D+00  1.28D+00  1.14D+00  1.27D+00
                    CP:  1.17D+00  1.08D+00  1.12D+00
 E= -767.455217479032     Delta-E=        0.000000000351 Rises=F Damp=F
 DIIS: error= 4.58D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -767.455217479383     IErMin=14 ErrMin= 4.58D-09
 ErrMax= 4.58D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-14 BMatP= 1.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.526D-06 0.125D-04 0.839D-05-0.782D-04-0.186D-03-0.148D-03
 Coeff-Com:  0.639D-03 0.281D-02 0.534D-03-0.135D-01-0.429D-01-0.263D-01
 Coeff-Com:  0.281D+00 0.798D+00
 Coeff:     -0.526D-06 0.125D-04 0.839D-05-0.782D-04-0.186D-03-0.148D-03
 Coeff:      0.639D-03 0.281D-02 0.534D-03-0.135D-01-0.429D-01-0.263D-01
 Coeff:      0.281D+00 0.798D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=1.23D-06 DE= 3.51D-10 OVMax= 1.85D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.21D-09    CP:  1.29D+00  1.15D+00  1.16D+00  1.51D+00  1.19D+00
                    CP:  1.25D+00  1.31D+00  1.28D+00  1.14D+00  1.27D+00
                    CP:  1.16D+00  1.10D+00  1.20D+00  1.08D+00
 E= -767.455217479368     Delta-E=       -0.000000000335 Rises=F Damp=F
 DIIS: error= 2.52D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -767.455217479383     IErMin=15 ErrMin= 2.52D-09
 ErrMax= 2.52D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-15 BMatP= 2.54D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.620D-07-0.150D-06 0.190D-05 0.132D-04-0.547D-05-0.986D-04
 Coeff-Com: -0.236D-03 0.948D-05 0.196D-02 0.554D-02-0.572D-02-0.616D-01
 Coeff-Com: -0.102D+00 0.201D+00 0.962D+00
 Coeff:     -0.620D-07-0.150D-06 0.190D-05 0.132D-04-0.547D-05-0.986D-04
 Coeff:     -0.236D-03 0.948D-05 0.196D-02 0.554D-02-0.572D-02-0.616D-01
 Coeff:     -0.102D+00 0.201D+00 0.962D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.89D-09 MaxDP=1.34D-07 DE=-3.35D-10 OVMax= 1.32D-07

 SCF Done:  E(RwB97XD) =  -767.455217479     A.U. after   15 cycles
            NFock= 15  Conv=0.29D-08     -V/T= 2.0058
 KE= 7.630550253475D+02 PE=-4.055886370335D+03 EE= 1.391192467786D+03
 Leave Link  502 at Thu Aug 12 22:29:13 2021, MaxMem=  5368709120 cpu:            7035.4 elap:             881.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.11745728D+03

 Leave Link  801 at Thu Aug 12 22:29:14 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.85D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.21D-01 9.81D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 6.39D-02 1.27D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 7.46D-03 3.77D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.78D-03 1.16D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 2.41D-04 3.14D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.20D-05 6.34D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 6.39D-07 1.33D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 3.09D-08 2.69D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 9.78D-10 4.27D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 2.94D-11 7.25D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.01D-12 1.29D-07.
      7 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.04D-13 3.84D-08.
      4 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 8.87D-14 1.58D-08.
      3 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 7.35D-14 1.38D-08.
      1 vectors produced by pass 15 Test12= 4.61D-13 8.33D-09 XBig12= 2.46D-14 8.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 5.60D-14
 Solved reduced A of dimension   144 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.307267D+03
      2  0.139214D+02  0.174484D+03
      3 -0.156652D+02 -0.533779D+01  0.120223D+03
 Isotropic polarizability for W=    0.088559      200.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.332889D+03 -0.423059D+02  0.890850D+02
      2   0.158035D+03  0.211814D+02 -0.439091D+02
      3   0.174854D+03  0.211245D+02 -0.451759D+02
      4  -0.545352D+02 -0.119110D+03  0.395524D+02
      5   0.201124D+02  0.435484D+02  0.316746D+02
      6   0.116020D+02 -0.705135D+02 -0.339267D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.994546D+01 -0.293628D+02  0.124575D+02
      2   0.783212D+02  0.164944D+02  0.116831D+02
      3   0.427102D+02  0.556664D+02 -0.206359D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.399600D+01 -0.266045D+02  0.550512D+02
      2   0.689726D+02  0.279504D+02 -0.143180D+03
      3  -0.122293D+02  0.277145D+03 -0.319464D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.107178D+01 -0.694358D+01 -0.843918D+01
      2  -0.694358D+01  0.164236D+01 -0.917820D-01
      3  -0.843918D+01 -0.917820D-01  0.523332D+01
 OR G Eigenvalues:    -9.9697     3.0744    12.6992  Iso=    -1.9346
 Eigenvectors:
   (1)   0.772657   0.465432   0.431711
   (2)  -0.157139   0.799108  -0.580287
   (3)  -0.615068   0.380524   0.690575
 w=    0.088559 a.u., Optical Rotation Beta=     -1.9346 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -426.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.10D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.33D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 4.06D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 4.12D-02 5.15D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 7.08D-03 2.45D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.39D-04 1.80D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 4.87D-06 2.59D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.24D-07 3.36D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 2.41D-09 3.92D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 3.21D-11 4.83D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 4.37D-13 5.52D-08.
     15 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 9.28D-14 1.72D-08.
     10 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 6.50D-14 1.87D-08.
      4 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 3.05D-14 1.22D-08.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 2.73D-14 1.01D-08.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 3.12D-14 8.50D-09.
      3 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 1.70D-14 6.65D-09.
      2 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 5.11D-15 3.24D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   312 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.57D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.57D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307267D+03  0.139214D+02 -0.156652D+02
      2   0.139214D+02  0.174484D+03 -0.533779D+01
      3  -0.156652D+02 -0.533779D+01  0.120223D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.994546D+01 -0.293628D+02  0.124575D+02
      2   0.783212D+02  0.164944D+02  0.116831D+02
      3   0.427102D+02  0.556664D+02 -0.206359D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332889D+03 -0.423059D+02  0.890850D+02
      2   0.158035D+03  0.211814D+02 -0.439091D+02
      3   0.174854D+03  0.211245D+02 -0.451759D+02
      4  -0.545352D+02 -0.119110D+03  0.395524D+02
      5   0.201124D+02  0.435484D+02  0.316746D+02
      6   0.116020D+02 -0.705135D+02 -0.339267D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.398965D+02  0.897936D+01 -0.374351D+01 -0.453195D+02 -0.605308D+01
      2   0.897936D+01  0.504800D+01 -0.175475D+01 -0.605308D+01 -0.529129D+01
      3  -0.374351D+01 -0.175475D+01  0.104185D+00  0.506494D+01  0.102832D+01
                 6             7             8             9            10 
      1   0.506494D+01  0.928469D+00 -0.425212D+00  0.123676D+01 -0.324136D+02
      2   0.102832D+01 -0.425212D+00 -0.209333D+00 -0.934281D+00 -0.761315D+01
      3  -0.372214D+00  0.123676D+01 -0.934281D+00  0.881524D-01  0.293420D+01
                11            12            13            14            15 
      1  -0.761315D+01  0.293420D+01  0.496143D+02  0.726340D+01 -0.572960D+01
      2  -0.953562D+00  0.544667D+00  0.726340D+01  0.708987D+01 -0.170386D+01
      3   0.544667D+00 -0.222595D+00 -0.572960D+01 -0.170386D+01  0.297532D+00
                16            17            18            19            20 
      1  -0.111892D+01  0.270911D+00 -0.455339D+00 -0.468009D+02 -0.102607D+02
      2   0.270911D+00 -0.331105D+00  0.113663D+01 -0.102607D+02 -0.987896D+01
      3  -0.455339D+00  0.113663D+01 -0.232578D+00  0.366130D+01  0.172644D+01
                21            22            23            24            25 
      1   0.366130D+01 -0.182460D+02 -0.199551D+01  0.148764D+00  0.762121D+01
      2   0.172644D+01 -0.199551D+01 -0.621946D+01  0.540242D+00  0.242660D+00
      3  -0.568941D+00  0.148764D+00  0.540242D+00 -0.210238D+01  0.318908D+00
                26            27            28            29            30 
      1   0.242660D+00  0.318908D+00  0.499547D+02  0.519463D+01 -0.806425D+00
      2   0.107159D+01 -0.392514D+01  0.519463D+01  0.464266D+01 -0.664621D+00
      3  -0.392514D+01  0.650923D+00 -0.806425D+00 -0.664621D+00  0.212722D+01
                31            32            33            34            35 
      1   0.723466D+01  0.210272D+01  0.391451D-01 -0.448368D+01 -0.175760D+00
      2   0.210272D+01  0.164423D+02 -0.281753D+01 -0.175760D+00 -0.290436D+01
      3   0.391451D-01 -0.281753D+01  0.305521D+00  0.619445D+01  0.127128D+01
                36            37            38            39            40 
      1   0.619445D+01  0.857453D+01 -0.174962D+01 -0.286023D+00  0.785123D+01
      2   0.127128D+01 -0.174962D+01  0.138137D+02 -0.140319D+01  0.167857D+01
      3  -0.152128D+01 -0.286023D+00 -0.140319D+01  0.244618D+01  0.431523D+00
                41            42            43            44            45 
      1   0.167857D+01  0.431523D+00 -0.957870D+00  0.107744D+01  0.475750D+01
      2  -0.912048D+01  0.157252D+01  0.107744D+01 -0.485734D+00  0.212846D+01
      3   0.157252D+01  0.686831D+00  0.475750D+01  0.212846D+01 -0.245283D+01
                46            47            48            49            50 
      1  -0.140783D+02  0.199485D+01  0.169073D+01  0.569004D+00  0.268408D+01
      2   0.199485D+01 -0.980583D+01  0.203881D+01  0.268408D+01  0.851113D+00
      3   0.169073D+01  0.203881D+01 -0.227960D+01 -0.168304D+00  0.373717D+00
                51            52            53            54            55 
      1  -0.168304D+00  0.143716D+01 -0.283851D-01 -0.146630D+01  0.494350D+01
      2   0.373717D+00 -0.283851D-01  0.211995D+01  0.431196D+01 -0.298286D+01
      3   0.175327D+01 -0.146630D+01  0.431196D+01 -0.958046D+00 -0.295795D+00
                56            57            58            59            60 
      1  -0.298286D+01 -0.295795D+00 -0.219112D+01 -0.392218D+01  0.264287D+00
      2   0.581733D+01 -0.291015D+00 -0.392218D+01 -0.286315D+01  0.944147D-01
      3  -0.291015D+00  0.232171D+01  0.264287D+00  0.944147D-01 -0.168037D+01
                61            62            63            64            65 
      1  -0.350995D+00  0.322881D+00  0.415248D+00  0.675820D+00 -0.192649D+01
      2   0.322881D+00 -0.139520D+01 -0.426408D+01 -0.192649D+01  0.839485D+00
      3   0.415248D+00 -0.426408D+01  0.502486D+00 -0.219374D-01  0.197911D+00
                66            67            68            69            70 
      1  -0.219374D-01 -0.275525D+01  0.285509D+01  0.917576D-01 -0.241407D+00
      2   0.197911D+00  0.285509D+01 -0.643195D+01 -0.329100D-01  0.120223D+00
      3   0.287498D-01  0.917576D-01 -0.329100D-01 -0.623776D+00 -0.886845D-01
                71            72            73            74            75 
      1   0.120223D+00 -0.886845D-01  0.610338D+01  0.335362D+01 -0.109545D+01
      2   0.457913D+00 -0.212042D-01  0.335362D+01  0.330280D+01 -0.779383D+00
      3  -0.212042D-01 -0.100009D-01 -0.109545D+01 -0.779383D+00  0.668011D+00
                76            77            78            79            80 
      1   0.395216D+01  0.436119D+01 -0.983701D+00 -0.138575D+01 -0.909239D+00
      2   0.436119D+01  0.522723D+01 -0.108631D+01 -0.909239D+00 -0.859104D+00
      3  -0.983701D+00 -0.108631D+01  0.899746D+00 -0.229435D+00  0.507993D+00
                81            82            83            84            85 
      1  -0.229435D+00 -0.100975D+01  0.154603D+01 -0.767425D-01  0.673380D+00
      2   0.507993D+00  0.154603D+01 -0.229437D+01  0.102748D+00 -0.140064D+01
      3  -0.143161D+00 -0.767425D-01  0.102748D+00 -0.164878D+00  0.225854D+00
                86            87            88            89            90 
      1  -0.140064D+01  0.225854D+00 -0.144302D-01 -0.623998D-01  0.153902D+00
      2   0.107119D+02 -0.108183D+01 -0.623998D-01 -0.101327D+01  0.169146D+00
      3  -0.108183D+01  0.957631D+00  0.153902D+00  0.169146D+00 -0.134346D+00
                91            92            93            94            95 
      1  -0.216487D+02 -0.305985D+01 -0.188310D+01 -0.112530D+01 -0.218483D+01
      2  -0.305985D+01 -0.870144D+00 -0.318979D+00 -0.218483D+01  0.148967D+01
      3  -0.188310D+01 -0.318979D+00 -0.297153D+01  0.370999D+00  0.325285D+01
                96            97            98            99           100 
      1   0.370999D+00 -0.762145D+01 -0.719440D+00 -0.598862D+01 -0.724458D+01
      2   0.325285D+01 -0.719440D+00  0.223241D+01 -0.172972D+01  0.144182D+01
      3  -0.534833D+00 -0.598862D+01 -0.172972D+01 -0.700454D+00  0.174877D+01
               101           102           103           104           105 
      1   0.144182D+01  0.174877D+01 -0.178470D+01  0.234461D+01  0.651948D+00
      2   0.179488D+01  0.754427D+00  0.234461D+01 -0.172623D+01 -0.339013D+01
      3   0.754427D+00  0.351146D+01  0.651948D+00 -0.339013D+01  0.104175D+01
               106           107           108           109           110 
      1   0.197979D+01  0.854423D+00  0.243220D+01 -0.381362D+01 -0.118122D+01
      2   0.854423D+00 -0.255965D+01  0.239112D+01 -0.118122D+01 -0.358076D+00
      3   0.243220D+01  0.239112D+01  0.319476D+01 -0.290267D+00 -0.411284D+00
               111           112           113           114           115 
      1  -0.290267D+00 -0.140923D+01  0.681427D+00  0.156120D-01  0.128352D+02
      2  -0.411284D+00  0.681427D+00 -0.176642D+00 -0.168070D+00  0.495051D+00
      3   0.124880D+01  0.156120D-01 -0.168070D+00  0.545624D+00  0.556998D+01
               116           117           118           119           120 
      1   0.495051D+00  0.556998D+01  0.383361D+01  0.177804D+01 -0.155259D+01
      2   0.516796D+00  0.415403D+00  0.177804D+01  0.100569D+01 -0.519930D+00
      3   0.415403D+00  0.491634D+00 -0.155259D+01 -0.519930D+00  0.165303D+01
               121           122           123           124           125 
      1   0.570594D+01  0.171469D+01 -0.112793D+01 -0.230009D+01 -0.532110D+00
      2   0.171469D+01  0.243825D+01 -0.194704D+01 -0.532110D+00 -0.192667D+01
      3  -0.112793D+01 -0.194704D+01  0.179342D+01  0.249417D+01  0.160618D+01
               126           127           128           129           130 
      1   0.249417D+01 -0.738755D+00 -0.224951D+00 -0.117649D+01  0.363270D+00
      2   0.160618D+01 -0.224951D+00 -0.105333D+01 -0.955802D+00 -0.298507D+00
      3  -0.335310D+01 -0.117649D+01 -0.955802D+00 -0.259815D+01 -0.118393D+00
               131           132           133           134           135 
      1  -0.298507D+00 -0.118393D+00 -0.171231D+01  0.283106D+00 -0.422880D+00
      2  -0.107001D+01 -0.946463D+00  0.283106D+00 -0.186851D+01 -0.248396D+01
      3  -0.946463D+00 -0.131627D+01 -0.422880D+00 -0.248396D+01 -0.722764D+01
               136           137           138           139           140 
      1   0.108620D+00 -0.472910D+00  0.338876D+00 -0.130895D+01  0.369522D+00
      2  -0.472910D+00 -0.977363D+00  0.726587D-01  0.369522D+00 -0.428738D+01
      3   0.338876D+00  0.726587D-01 -0.764811D+00  0.604533D-01  0.150544D+01
               141           142           143           144           145 
      1   0.604533D-01  0.122136D+01 -0.653702D+00 -0.284501D+00  0.122360D+02
      2   0.150544D+01 -0.653702D+00  0.290272D+01 -0.149320D+01 -0.316591D+01
      3  -0.165853D+01 -0.284501D+00 -0.149320D+01  0.170008D+01 -0.224370D+01
               146           147           148           149           150 
      1  -0.316591D+01 -0.224370D+01 -0.168653D+01  0.128211D+01  0.154810D+00
      2   0.188139D+01  0.767366D+00  0.128211D+01 -0.507446D+00  0.264966D-02
      3   0.767366D+00  0.152288D+01  0.154810D+00  0.264966D-02 -0.136774D+00
               151           152           153           154           155 
      1  -0.139691D+01  0.239078D+00  0.122133D+01  0.193118D+02  0.269884D+01
      2   0.239078D+00  0.482472D-01 -0.543385D+00  0.269884D+01  0.211987D+01
      3   0.122133D+01 -0.543385D+00 -0.941983D+00  0.159801D+01  0.671285D+00
               156           157           158           159           160 
      1   0.159801D+01  0.358121D+01  0.423690D+01  0.263110D+00  0.230515D+01
      2   0.671285D+00  0.423690D+01  0.199254D+01  0.486585D+00  0.545527D+00
      3   0.282157D+01  0.263110D+00  0.486585D+00  0.309994D+00  0.286737D+01
               161           162           163           164           165 
      1   0.545527D+00  0.286737D+01  0.133078D+02  0.448358D+00  0.493124D+01
      2  -0.255275D+00  0.652614D+00  0.448358D+00 -0.588284D+00 -0.250980D+00
      3   0.652614D+00  0.461076D+00  0.493124D+01 -0.250980D+00  0.941097D+00
               166           167           168           169           170 
      1   0.231768D+01 -0.382043D+00  0.416583D+00  0.106587D+01 -0.473093D+00
      2  -0.382043D+00 -0.321750D+00  0.122840D+01 -0.473093D+00  0.579601D+00
      3   0.416583D+00  0.122840D+01 -0.723744D-01  0.364952D+00  0.170024D+00
               171           172           173           174           175 
      1   0.364952D+00 -0.112420D+02  0.687022D-01 -0.288932D+01 -0.140091D+01
      2   0.170024D+00  0.687022D-01 -0.217054D-01  0.166190D+00  0.322850D+00
      3   0.675721D+01 -0.288932D+01  0.166190D+00 -0.307307D+01 -0.421778D+00
               176           177           178           179           180 
      1   0.322850D+00 -0.421778D+00 -0.663778D+01  0.114663D+00 -0.278084D+01
      2  -0.129879D+00  0.667542D+00  0.114663D+00  0.121884D+01 -0.138902D+00
      3   0.667542D+00 -0.580248D+00 -0.278084D+01 -0.138902D+00 -0.283422D-01
               181           182           183           184           185 
      1  -0.618346D+01  0.102721D+01 -0.146485D+00 -0.143953D+02 -0.292880D+01
      2   0.102721D+01 -0.105679D+02  0.298185D-02 -0.292880D+01  0.523757D+01
      3  -0.146485D+00  0.298185D-02 -0.246850D+01  0.120533D+01 -0.361226D+00
               186           187           188           189           190 
      1   0.120533D+01  0.115629D+01 -0.613753D+00 -0.432067D+01 -0.379322D+02
      2  -0.361226D+00 -0.613753D+00  0.128948D+00 -0.268189D+01 -0.559725D+01
      3  -0.149761D+01 -0.432067D+01 -0.268189D+01  0.191620D+01  0.299829D+01
               191           192           193           194           195 
      1  -0.559725D+01  0.299829D+01 -0.107455D+01 -0.215004D+01 -0.733193D+00
      2  -0.951233D+01  0.101287D+01 -0.215004D+01 -0.125723D+02  0.921459D+00
      3   0.101287D+01 -0.402467D+01 -0.733193D+00  0.921459D+00  0.514299D+00
               196           197           198           199           200 
      1   0.290063D+01  0.653680D-01 -0.733973D+01  0.369812D+02  0.986293D+01
      2   0.653680D-01  0.233829D+01 -0.823623D+00  0.986293D+01  0.762455D+01
      3  -0.733973D+01 -0.823623D+00  0.196971D+01 -0.407800D+01 -0.747798D+00
               201           202           203           204           205 
      1  -0.407800D+01  0.165504D+02  0.349534D+01 -0.176351D+01 -0.630315D+01
      2  -0.747798D+00  0.349534D+01  0.621722D+01 -0.127693D+00 -0.100958D+01
      3   0.615812D+00 -0.176351D+01 -0.127693D+00  0.255647D+01  0.220630D+00
               206           207           208           209           210 
      1  -0.100958D+01  0.220630D+00  0.940884D+01  0.412526D+01 -0.152729D+01
      2  -0.569858D+00  0.482205D+01  0.412526D+01  0.368015D+01 -0.777218D+00
      3   0.482205D+01 -0.130584D+01 -0.152729D+01 -0.777218D+00  0.409349D+00
               211           212           213           214           215 
      1  -0.184421D+01 -0.326798D+01  0.413549D+00 -0.756504D+00 -0.450213D-01
      2  -0.326798D+01  0.128873D+01  0.192907D+00 -0.450213D-01 -0.418642D+00
      3   0.413549D+00  0.192907D+00 -0.113151D+01  0.124142D+00  0.751532D+00
               216           217           218           219           220 
      1   0.124142D+00 -0.764784D+00 -0.463176D+01  0.915702D+00 -0.446868D+01
      2   0.751532D+00 -0.463176D+01 -0.872167D+00  0.122522D+01  0.259752D+01
      3  -0.630749D-01  0.915702D+00  0.122522D+01 -0.424595D-02  0.127863D+01
               221           222           223           224           225 
      1   0.259752D+01  0.127863D+01  0.111235D+01  0.108756D+01  0.201904D+01
      2   0.135383D+01  0.750840D+00  0.108756D+01  0.943597D+00  0.431505D+01
      3   0.750840D+00  0.579377D+01  0.201904D+01  0.431505D+01 -0.205398D+01
               226           227           228           229           230 
      1   0.553162D+00 -0.145874D+01  0.786628D-01 -0.414285D+00  0.830168D+00
      2  -0.145874D+01  0.205065D+01 -0.808254D-02  0.830168D+00 -0.965434D+01
      3   0.786628D-01 -0.808254D-02  0.119276D+00 -0.125126D+00  0.716153D+00
               231           232           233           234           235 
      1  -0.125126D+00 -0.197252D-01  0.647463D-01 -0.102665D+00 -0.718490D+01
      2   0.716153D+00  0.647463D-01  0.831207D+00 -0.800195D-01 -0.303519D+01
      3  -0.843320D+00 -0.102665D+00 -0.800195D-01  0.948928D-01  0.114409D+01
               236           237           238           239           240 
      1  -0.303519D+01  0.114409D+01 -0.431663D+01 -0.434031D+01  0.903783D+00
      2  -0.263875D+01  0.563531D+00 -0.434031D+01 -0.468518D+01  0.898723D+00
      3   0.563531D+00 -0.427983D+00  0.903783D+00  0.898723D+00 -0.714725D+00
               241           242           243           244           245 
      1   0.143799D+01  0.859317D+00  0.288117D+00 -0.124093D+01  0.249608D+01
      2   0.859317D+00  0.795037D+00 -0.189679D+00  0.249608D+01 -0.212066D+01
      3   0.288117D+00 -0.189679D+00  0.159724D-01 -0.198444D+00 -0.672265D-01
               246           247           248           249           250 
      1  -0.198444D+00  0.304113D+01 -0.364025D+01  0.177743D+00 -0.257022D+00
      2  -0.672265D-01 -0.364025D+01  0.835529D+01 -0.458843D+00  0.911660D-01
      3  -0.284344D+00  0.177743D+00 -0.458843D+00  0.884269D+00 -0.158196D+00
               251           252           253           254           255 
      1   0.911660D-01 -0.158196D+00  0.100254D+01  0.158797D+00  0.653902D+00
      2  -0.692210D+00  0.431202D-01  0.158797D+00  0.393084D+00 -0.854617D-01
      3   0.431202D-01 -0.404681D-01  0.653902D+00 -0.854617D-01  0.513288D+00
               256           257           258           259           260 
      1  -0.136714D+01 -0.147665D+01  0.112579D+01  0.382633D+01  0.119109D+01
      2  -0.147665D+01 -0.204408D+01  0.184399D+01  0.119109D+01  0.183227D+01
      3   0.112579D+01  0.184399D+01 -0.298292D+01 -0.307625D+01 -0.279059D+01
               261           262           263           264           265 
      1  -0.307625D+01 -0.916587D+00 -0.560386D+00 -0.133221D+01 -0.281210D+01
      2  -0.279059D+01 -0.560386D+00 -0.224883D+00 -0.508679D+00 -0.257609D+01
      3   0.634174D+01 -0.133221D+01 -0.508679D+00 -0.678026D-01 -0.152240D+01
               266           267           268           269           270 
      1  -0.257609D+01 -0.152240D+01 -0.485606D+01 -0.200551D+01 -0.241054D+01
      2  -0.334303D+01 -0.205553D+01 -0.200551D+01 -0.247837D+01 -0.254640D+01
      3  -0.205553D+01 -0.255568D+01 -0.241054D+01 -0.254640D+01 -0.347055D+01
               271           272           273           274           275 
      1  -0.136789D+02  0.274646D+01  0.950014D+00  0.646599D+01 -0.220329D+01
      2   0.274646D+01 -0.127597D+01 -0.302701D+00 -0.220329D+01  0.174908D+01
      3   0.950014D+00 -0.302701D+00 -0.113148D+01 -0.610672D+00  0.100681D+00
               276           277           278           279 
      1  -0.610672D+00  0.586297D+00 -0.272013D+00 -0.155405D+01
      2   0.100681D+00 -0.272013D+00 -0.501238D-01 -0.464875D-01
      3   0.463413D+00 -0.155405D+01 -0.464875D-01  0.452849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.259372D+01  0.433959D+01  0.421347D-01  0.543757D+01  0.568231D+01
      2   0.144755D+02  0.640220D+01 -0.122604D+01 -0.144104D+02  0.458356D+00
      3  -0.451950D+01  0.421905D+02 -0.331164D+01  0.315464D+02  0.258832D+02
                 6             7             8             9            10 
      1  -0.111094D+01  0.356188D+01  0.668360D+01 -0.832213D+00  0.204728D+01
      2   0.904933D+00 -0.191729D+02 -0.274124D+01  0.251749D+01 -0.180658D+02
      3  -0.486125D+01 -0.239997D+01 -0.869247D+01 -0.204827D-01 -0.240366D+01
                11            12            13            14            15 
      1   0.710688D+01 -0.772560D+00  0.684698D+01  0.117319D+01  0.330009D+00
      2   0.833300D+00 -0.350895D+01  0.206803D+02  0.382966D+01 -0.239394D+01
      3   0.497155D+02 -0.409693D+01  0.643136D+02  0.232821D+02 -0.871400D+01
                16            17            18            19            20 
      1   0.251656D+01  0.607663D+01 -0.138401D+01  0.366648D+01 -0.312467D+00
      2  -0.220747D+02 -0.201924D+01  0.270153D+01 -0.229352D+02 -0.824114D+01
      3  -0.495093D+01 -0.928293D+01  0.240172D+01  0.122549D+02 -0.325532D+02
                21            22            23            24            25 
      1  -0.506106D+00 -0.591479D+00  0.403703D+01 -0.275830D+01  0.544197D+01
      2   0.512124D+00 -0.122295D+02 -0.159511D+01 -0.148729D+01 -0.168455D+02
      3   0.139008D+01  0.293513D+01  0.285279D+01 -0.172448D+00  0.352700D+01
                26            27            28            29            30 
      1   0.129268D+01  0.258610D+01  0.261480D+01  0.622455D+00 -0.310962D+00
      2  -0.688790D+01  0.203624D+01  0.296201D+02  0.386921D+01  0.117936D+01
      3   0.499666D+01  0.282100D+01  0.111646D+02  0.834956D+01 -0.758251D+00
                31            32            33            34            35 
      1   0.565985D+01 -0.614981D+01  0.308030D+01 -0.194297D+01  0.152160D+02
      2   0.379685D+01 -0.537955D-01  0.225902D+00 -0.142070D+02 -0.109245D+01
      3   0.286843D+02  0.292433D+01  0.284907D+01 -0.332335D+01 -0.152630D+01
                36            37            38            39            40 
      1  -0.253874D+01  0.227613D+01 -0.557024D+01 -0.529061D+01 -0.340446D+01
      2   0.129437D+01  0.256723D+01  0.380351D+00  0.288664D+01  0.475570D+01
      3  -0.281423D+00  0.295212D+02  0.153705D+01 -0.614104D+00 -0.273023D+01
                41            42            43            44            45 
      1   0.574428D+01 -0.124585D+01 -0.164598D+02  0.760007D+01  0.143487D+01
      2   0.247212D+01  0.952937D+00 -0.826952D+01  0.734620D+01  0.711887D+00
      3   0.408202D+01 -0.212028D+01 -0.829599D+00 -0.213481D+01  0.711448D+01
                46            47            48            49            50 
      1  -0.561476D+01  0.243780D+00  0.522702D+01 -0.220326D+01 -0.458037D+01
      2  -0.834311D+01 -0.120676D+01  0.696005D+00 -0.140211D+01 -0.121172D+01
      3  -0.506468D+02 -0.334504D+02  0.629970D+01 -0.847759D+01 -0.251268D+02
                51            52            53            54            55 
      1  -0.358042D+01  0.867139D+01 -0.488541D+01 -0.275365D+01 -0.119376D+01
      2   0.100725D+01 -0.166576D+02  0.164075D+01  0.304065D+00 -0.629554D+01
      3   0.332114D+01  0.782643D+01  0.625237D+01 -0.737877D+01 -0.286066D+02
                56            57            58            59            60 
      1  -0.579941D+01  0.564036D+01  0.109993D+01 -0.338512D+01 -0.292830D+01
      2  -0.392147D+01 -0.582732D+01 -0.367247D+01 -0.342266D+01  0.380707D+01
      3  -0.339649D+02  0.462012D+01 -0.187090D+01 -0.294918D+02  0.167443D+01
                61            62            63            64            65 
      1   0.564992D+01 -0.236121D+01 -0.756491D+00  0.747495D+00  0.520122D+00
      2  -0.220033D+02  0.614198D+01  0.992865D+00 -0.305754D+00 -0.394072D+00
      3   0.397333D+01  0.578517D+01 -0.117150D+02  0.971718D-01  0.103260D+01
                66            67            68            69            70 
      1   0.435323D+00 -0.440356D+00  0.174316D+01 -0.335478D+01  0.242961D+00
      2  -0.960280D-01 -0.738438D+00  0.882715D+00 -0.113128D+01 -0.213016D+01
      3  -0.150728D+00  0.531173D+01  0.433621D+01 -0.540977D+00 -0.280963D+00
                71            72            73            74            75 
      1   0.211803D+01 -0.175360D+00 -0.172260D+00 -0.118270D+01 -0.225942D+01
      2   0.119472D+01  0.248074D-01  0.351748D+01  0.124504D+01  0.171276D+01
      3  -0.441498D+00 -0.773949D+00  0.916376D+01  0.616085D-01 -0.832734D+00
                76            77            78            79            80 
      1  -0.140799D+01 -0.203948D+01 -0.267342D+01  0.303896D+01  0.135822D+01
      2   0.172729D+01  0.144741D+01  0.220130D+01 -0.334125D+01 -0.449843D-02
      3   0.201339D+01 -0.148402D+01 -0.138753D+00 -0.172127D+01  0.181434D+00
                81            82            83            84            85 
      1  -0.228750D+00 -0.116054D+01  0.147967D+01  0.117391D+01  0.378513D+00
      2  -0.601132D+00 -0.835942D+00  0.846986D+00  0.634458D+00  0.701105D+00
      3  -0.120786D+01 -0.504553D+01  0.263907D+01  0.656520D-01  0.541006D+01
                86            87            88            89            90 
      1  -0.407077D+01 -0.447088D+01 -0.129620D+01  0.277098D+01  0.429006D+00
      2  -0.126344D+01 -0.806344D+00 -0.512370D+00 -0.863484D+00  0.267733D+00
      3  -0.383128D+01  0.691064D+00  0.566120D+00  0.505060D+00  0.105493D+01
                91            92            93            94            95 
      1  -0.479075D+00  0.108877D+01 -0.234430D+00 -0.169758D+01 -0.361701D+00
      2  -0.210216D+02 -0.214993D+01 -0.981522D+01  0.684675D+00  0.846796D+01
      3   0.137071D+01 -0.125792D+01 -0.108866D+01  0.168964D+02 -0.729423D+01
                96            97            98            99           100 
      1  -0.312852D+01 -0.224013D+01  0.325825D+01  0.330605D+01  0.581803D+00
      2  -0.127503D+01 -0.384576D+02 -0.569591D+01 -0.612033D+01 -0.283627D+01
      3  -0.128238D+02 -0.732048D+00 -0.120661D+02  0.564355D+01  0.103411D+02
               101           102           103           104           105 
      1  -0.321145D+01  0.412245D+01 -0.120018D+01 -0.369348D+01  0.593352D+01
      2   0.443542D+01  0.167954D+02  0.143749D+01 -0.897334D+01  0.476289D+01
      3  -0.165980D+02 -0.640161D+01 -0.110768D+02  0.153279D+01  0.143828D+02
               106           107           108           109           110 
      1   0.533046D+00  0.103551D+02  0.196257D+01 -0.447830D+01 -0.189780D+01
      2   0.864961D+01  0.943133D+01  0.143173D+02  0.205597D+02  0.279604D+01
      3  -0.529507D+01  0.100838D+02 -0.146492D+02  0.102075D+01  0.149724D+02
               111           112           113           114           115 
      1   0.395330D+01 -0.115084D+02 -0.366224D+01 -0.168347D+02  0.365204D+01
      2   0.284117D+01 -0.664571D+00  0.534031D+00 -0.254469D+01  0.204176D+02
      3   0.485098D-01  0.131531D+02  0.827737D+01  0.288694D+01 -0.356061D-01
               116           117           118           119           120 
      1  -0.453296D+01  0.160319D+01 -0.715685D+00 -0.134574D+01  0.421785D+00
      2  -0.103726D+01  0.865788D+00 -0.293878D+01 -0.694591D+00  0.599621D+01
      3   0.391353D+01 -0.891635D+00 -0.709005D+01 -0.605062D+01  0.204511D+01
               121           122           123           124           125 
      1  -0.172784D+00 -0.234035D+01  0.375323D+00  0.308007D+00  0.278605D+01
      2   0.797967D+00 -0.510719D+01  0.575358D+01  0.546861D+01  0.469898D+01
      3  -0.183141D+01 -0.875888D+01  0.697572D+01  0.168092D+01  0.838713D+01
               126           127           128           129           130 
      1  -0.962217D+00 -0.119102D+01  0.144859D+01 -0.290167D+01  0.326124D+00
      2  -0.900176D+01 -0.727082D+01 -0.308259D+01 -0.968246D+01 -0.224075D+00
      3  -0.618623D+01  0.380015D+01  0.481737D+01  0.612242D+01  0.323433D+01
               131           132           133           134           135 
      1   0.717996D-01 -0.224238D+01 -0.179613D+01  0.135830D+01 -0.768430D+01
      2  -0.371491D+01 -0.488666D+01 -0.651438D+01 -0.816878D+01 -0.252999D+02
      3   0.413695D+01  0.424647D+01  0.309620D+01  0.640460D+01  0.124084D+02
               136           137           138           139           140 
      1   0.159679D+01  0.155210D+01 -0.219851D+01  0.456554D+00  0.775950D+01
      2   0.194237D+01 -0.489088D+00 -0.200992D+01 -0.630656D+00  0.546554D+01
      3   0.447373D+01  0.524338D+01 -0.159079D+01  0.372694D+01  0.174278D+02
               141           142           143           144           145 
      1  -0.725367D+01 -0.421655D+00 -0.501393D+01  0.662249D+01  0.280553D+00
      2  -0.547512D+01 -0.173136D+01 -0.532406D+01  0.549033D+01  0.680154D+01
      3  -0.707554D+01 -0.166096D+01 -0.116518D+02  0.794060D+01 -0.654394D+01
               146           147           148           149           150 
      1  -0.177506D+01  0.195282D+01 -0.114241D+01  0.747538D+00 -0.129921D+01
      2  -0.352612D+00  0.585672D+01 -0.114545D+01  0.180733D+01 -0.458087D+00
      3  -0.632148D+01 -0.145606D+00 -0.132209D+01  0.965034D+00 -0.131436D+01
               151           152           153           154           155 
      1   0.119128D+01 -0.416790D+00 -0.451382D+00  0.354971D+01  0.192533D+01
      2   0.234983D+01 -0.148797D+01 -0.240861D+01 -0.889502D+01  0.717352D-01
      3   0.117655D+01 -0.110855D+01  0.601567D+00 -0.657648D+01 -0.247291D+02
               156           157           158           159           160 
      1  -0.383072D+01  0.855431D+01  0.255816D+01  0.118098D+01 -0.185353D+01
      2   0.223159D+02  0.241400D+01 -0.122328D+01  0.390917D+01  0.851071D+01
      3  -0.120046D+01 -0.162411D+02 -0.109411D+02 -0.187512D+01 -0.596194D+00
               161           162           163           164           165 
      1   0.312369D+01 -0.191710D+00  0.521921D+01  0.165961D+01  0.108794D+01
      2   0.310179D+01  0.233017D+01 -0.868229D+01 -0.292046D+01  0.512669D+00
      3  -0.260796D+01 -0.187142D+01 -0.343898D+01 -0.316738D+01  0.506042D+00
               166           167           168           169           170 
      1   0.424447D+01 -0.263818D+00  0.476872D+01  0.178421D+01  0.758132D+01
      2  -0.258557D+01  0.577572D+01  0.256480D+00 -0.103360D+02  0.700107D+00
      3   0.194868D+01  0.497464D+00 -0.567862D+01  0.132420D+01 -0.269647D+01
               171           172           173           174           175 
      1  -0.134701D+01 -0.541081D+01 -0.148355D+01 -0.191420D+01 -0.526390D+01
      2   0.225275D+02  0.203673D+02  0.144855D+01 -0.546490D+01  0.313473D+01
      3   0.382695D+00  0.259293D+01  0.159915D+01  0.139965D+00  0.459920D+01
               176           177           178           179           180 
      1   0.127470D+00 -0.264250D+01 -0.180426D+01 -0.953088D+00 -0.690463D+00
      2   0.207998D+01 -0.817392D+00 -0.113889D+01  0.541551D+00  0.125271D+01
      3  -0.600081D-01 -0.827577D+00  0.532213D+00  0.104185D+01  0.195935D+00
               181           182           183           184           185 
      1  -0.709206D+00  0.396717D+01 -0.622900D+01 -0.259583D+01  0.967328D-01
      2   0.472989D+00  0.208194D+01  0.831288D+01 -0.589765D+01  0.240093D+01
      3   0.150975D+02  0.383669D+01 -0.208800D+01 -0.148727D+02  0.853887D+01
               186           187           188           189           190 
      1  -0.113027D+01 -0.121290D+02  0.603139D+01  0.236428D+01  0.247372D+01
      2   0.422924D+01 -0.294056D+01  0.109585D+02 -0.368013D+01 -0.116727D+02
      3   0.546605D-01  0.134611D+01 -0.327599D+01  0.517019D-01  0.722585D+01
               191           192           193           194           195 
      1   0.747894D+01  0.882026D+00  0.610854D+01  0.640396D+01  0.246163D+01
      2  -0.309620D+00  0.279428D+01  0.306474D+01 -0.213746D+01 -0.887322D+00
      3   0.207318D+02 -0.348379D+01  0.409628D+02  0.557030D+01 -0.501021D+01
               196           197           198           199           200 
      1  -0.889359D+00  0.127272D+02 -0.192892D+01  0.200252D+00 -0.685513D+01
      2   0.367095D+01 -0.358796D+01 -0.263589D+01  0.148399D+02 -0.129460D+01
      3  -0.570549D+01 -0.475888D+01 -0.633608D+00  0.172929D+02 -0.388771D+02
               201           202           203           204           205 
      1   0.244347D+00 -0.719848D+00 -0.357765D+01 -0.308023D+01  0.689817D+01
      2   0.182761D+01  0.321645D+01 -0.189899D+01 -0.515412D+01 -0.198861D+02
      3   0.306294D+01  0.750672D-01 -0.106185D+02  0.302395D+01 -0.940845D-01
               206           207           208           209           210 
      1   0.257337D+01 -0.967007D+00 -0.212000D+01 -0.664630D+01 -0.115872D+01
      2  -0.170248D+02  0.496145D+01  0.314705D+01 -0.156247D+01  0.129322D+02
      3   0.847994D+01  0.845952D+01 -0.383676D+01 -0.405095D+02  0.365699D+01
               211           212           213           214           215 
      1   0.509788D-01  0.394049D+00 -0.470253D+01 -0.156139D+01 -0.111891D+01
      2  -0.700951D+00  0.676904D+00  0.560042D+01 -0.630893D+01 -0.153317D+01
      3  -0.178047D+01  0.120902D+02 -0.107680D+01  0.199922D+01  0.435416D+01
               216           217           218           219           220 
      1   0.114439D+01 -0.123774D+01  0.254549D+01  0.109228D+01  0.402272D+01
      2  -0.962346D+00 -0.639377D+01 -0.408759D+01 -0.121983D+01 -0.495561D+01
      3   0.242526D+01 -0.336863D+02  0.114178D+02  0.640489D+01  0.268027D+02
               221           222           223           224           225 
      1   0.348856D+01  0.441147D+01  0.105552D+02  0.635798D+01 -0.147078D+00
      2  -0.406239D+01 -0.375733D+02 -0.167001D+02 -0.284971D+02  0.130914D+02
      3   0.219075D+02  0.168044D+01  0.567383D+01  0.188050D+01  0.289379D+02
               226           227           228           229           230 
      1  -0.315251D+00  0.457647D+00  0.112652D+01 -0.167454D+00  0.367936D+00
      2  -0.542961D+00  0.900931D-01  0.371257D+00  0.546977D+00 -0.190303D+01
      3  -0.697917D+01  0.528950D+01  0.203968D+00  0.565300D+01 -0.194882D+02
               231           232           233           234           235 
      1  -0.443047D+01 -0.428987D+00  0.275392D+01  0.269060D+00  0.177536D+01
      2   0.561937D+00 -0.658335D-01 -0.348838D+00 -0.213575D-01 -0.196741D+01
      3   0.168516D+01  0.357390D+00  0.129828D+01  0.592636D+00  0.639215D+01
               236           237           238           239           240 
      1   0.156238D+00 -0.186699D+01  0.553682D+00 -0.104089D+00 -0.270125D+01
      2  -0.132101D+01  0.196410D+01 -0.199894D+01 -0.227603D+01  0.345566D+01
      3  -0.494847D+01 -0.337486D+00 -0.608104D+01 -0.112524D+02  0.169704D+01
               241           242           243           244           245 
      1   0.224416D+01  0.110465D+01  0.478131D-02 -0.186437D+00  0.590762D+00
      2  -0.290875D+01  0.251428D+00 -0.174887D+00 -0.263117D-01  0.640546D+00
      3  -0.268552D+00  0.153236D+01 -0.107589D+01  0.394233D+01 -0.357463D+01
               246           247           248           249           250 
      1   0.116677D+01  0.392942D+00 -0.442320D+00 -0.392321D+01 -0.157306D+00
      2   0.135347D+01  0.201926D+00  0.644637D+00 -0.314383D+01 -0.212924D+01
      3  -0.352354D+00 -0.223551D+01  0.198772D+02 -0.130869D+01  0.344171D-01
               251           252           253           254           255 
      1   0.190489D+01  0.650671D-01 -0.804827D+00  0.297884D+00  0.977072D+00
      2   0.378437D+00  0.222296D+00 -0.581205D+01  0.767030D+00 -0.266691D+01
      3  -0.208516D+01 -0.354572D+00 -0.123414D+01  0.100546D+01 -0.104795D+01
               256           257           258           259           260 
      1  -0.617545D-01 -0.121121D+01 -0.203783D+01 -0.172601D+01  0.217880D+01
      2  -0.442887D+01 -0.102157D+02  0.174288D+02  0.123418D+02  0.167126D+02
      3  -0.738595D+01 -0.163285D+02  0.116320D+02  0.551756D+01  0.137523D+02
               261           262           263           264           265 
      1   0.342492D+01 -0.327759D+00 -0.317458D+00 -0.145296D+00 -0.244529D+01
      2  -0.358099D+02  0.867511D+01  0.293063D+01  0.136278D+01  0.756945D+01
      3  -0.181327D+02 -0.420892D+01 -0.292436D+01 -0.221327D+01 -0.131653D+02
               266           267           268           269           270 
      1  -0.265580D+01 -0.425884D+01 -0.346770D+01 -0.979496D+00 -0.497700D+01
      2   0.117985D+02  0.161364D+02  0.118127D+02  0.157642D+02  0.208688D+02
      3  -0.243994D+02 -0.118804D+02 -0.888754D+01 -0.166696D+02 -0.155980D+02
               271           272           273           274           275 
      1   0.168157D+01 -0.108374D+01  0.731251D-01 -0.127710D+01  0.812253D+00
      2   0.219931D-01  0.519200D+00  0.877500D+01  0.955654D+00  0.317260D+00
      3   0.220943D+02 -0.127629D+02 -0.218182D+01 -0.145454D+02  0.118614D+02
               276           277           278           279 
      1  -0.868835D+00 -0.114449D+01  0.301277D+00  0.129313D+00
      2  -0.315958D+01  0.745982D+01  0.483658D+00 -0.222751D+01
      3   0.782981D+00 -0.184987D+01  0.149372D+00 -0.261070D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.894022D+02 -0.447352D+02  0.109154D+02  0.897847D+02 -0.387778D+01
      2   0.504106D+02  0.263028D+02 -0.770021D+01 -0.446077D+02  0.753460D+01
      3   0.389917D+02  0.184324D+02 -0.321523D+01 -0.451770D+02 -0.365682D+01
      4  -0.433815D+02  0.122234D+01  0.258717D+01 -0.407270D+01  0.697159D+01
      5   0.139257D+02  0.192434D+01 -0.242821D+01  0.225732D+01  0.181034D+01
      6   0.105420D+01 -0.415080D+01  0.222588D+00  0.351679D+01  0.186645D+01
                 6             7             8             9            10 
      1  -0.940049D+01  0.226469D+01  0.444112D+01 -0.106984D+02  0.757674D+02
      2   0.358541D+01 -0.285358D+01 -0.370999D+01 -0.424521D+00 -0.299108D+02
      3   0.581508D+01  0.588894D+00 -0.731134D+00  0.111229D+02 -0.458566D+02
      4  -0.162713D+00  0.515843D+01  0.116105D+00 -0.621617D+00  0.871034D+01
      5  -0.100666D+01 -0.105578D+01  0.128199D+01  0.308430D+01 -0.111230D+02
      6  -0.862522D+00 -0.312608D+01  0.384637D+01  0.211163D+01  0.281439D+00
                11            12            13            14            15 
      1  -0.704306D+01 -0.812440D+01 -0.103976D+03 -0.271397D+02  0.116434D+02
      2   0.511545D+01  0.152806D+01  0.484083D+02  0.224514D+02 -0.794619D+01
      3   0.192761D+01  0.659633D+01  0.555677D+02  0.468829D+01 -0.369721D+01
      4  -0.336393D-01 -0.202560D+01 -0.201082D+02 -0.139543D+02  0.224375D+01
      5  -0.603418D+00 -0.779188D+01  0.153451D+00 -0.697193D+00  0.783678D+00
      6  -0.161159D+00 -0.198092D+00 -0.138652D+01 -0.512298D+01 -0.118167D+01
                16            17            18            19            20 
      1   0.604710D+00  0.233153D+01 -0.920686D+01  0.559604D+02  0.514628D+02
      2  -0.263656D+01 -0.155155D+01 -0.571298D+00 -0.327099D+02 -0.353871D+02
      3   0.203185D+01 -0.779979D+00  0.977816D+01 -0.232505D+02 -0.160758D+02
      4   0.758397D+00  0.202828D+01 -0.246423D+01  0.411812D+02 -0.503383D+01
      5   0.613835D+00 -0.218850D+01  0.368152D+01 -0.114968D+02 -0.414666D+01
      6  -0.193670D+01  0.483323D+01  0.595086D+00 -0.946837D+00  0.102573D+02
                21            22            23            24            25 
      1  -0.150011D+02 -0.128933D+02  0.218250D+02 -0.772182D+01 -0.690776D+01
      2   0.844230D+01  0.177143D+02 -0.262834D+02  0.411097D+01 -0.672367D+00
      3   0.655878D+01 -0.482101D+01  0.445834D+01  0.361086D+01  0.758013D+01
      4  -0.367397D+01  0.176486D+02  0.631175D+00 -0.140475D+01 -0.112484D+02
      5  -0.181421D+01 -0.504147D+01 -0.147242D+01 -0.555202D+01  0.779620D+01
      6  -0.125360D+01 -0.321539D+01  0.848840D+01  0.515203D+01  0.464151D+00
                26            27            28            29            30 
      1  -0.167984D+02 -0.574902D+01  0.148710D+02 -0.156823D+01  0.950450D+01
      2   0.967596D+01 -0.485583D+01 -0.217396D+02  0.428491D+01 -0.395386D+01
      3   0.712241D+01  0.106049D+02  0.686860D+01 -0.271668D+01 -0.555064D+01
      4  -0.123962D+01 -0.361441D+01 -0.101456D+02  0.978660D+01 -0.151784D+01
      5  -0.846310D+01  0.423504D+01  0.103116D+02 -0.181113D+01  0.725722D+01
      6   0.887306D+01  0.359299D+01  0.263174D+01 -0.469128D+01  0.146150D+01
                31            32            33            34            35 
      1  -0.320660D+02 -0.659382D+02  0.952531D+01  0.152466D+02  0.105287D+02
      2   0.263261D+02  0.568655D+02 -0.107199D+02 -0.107701D+01 -0.762643D+01
      3   0.573990D+01  0.907271D+01  0.119459D+01 -0.141695D+02 -0.290228D+01
      4  -0.388609D+02  0.394544D+01 -0.146248D+01  0.854441D+01 -0.329468D+01
      5   0.101561D+02  0.140426D+01  0.821474D-02  0.245270D+02  0.479780D+01
      6   0.137329D+01 -0.164378D+02 -0.814489D+00 -0.291015D+00  0.590988D+01
                36            37            38            39            40 
      1  -0.704302D+01 -0.126845D+02 -0.683837D+02  0.113867D+02  0.289893D+02
      2  -0.684102D+01  0.637338D+01  0.532875D+02 -0.357539D+01 -0.289640D+02
      3   0.138840D+02  0.631110D+01  0.150962D+02 -0.781126D+01 -0.253310D-01
      4  -0.100347D+01 -0.791608D+01 -0.724306D+01  0.491927D+01  0.132719D+02
      5  -0.226342D+01 -0.239685D+01  0.925570D+01  0.495847D+01  0.113401D+01
      6   0.613307D+00  0.558015D+01 -0.101112D+02  0.121129D+02  0.401888D+01
                41            42            43            44            45 
      1   0.413960D+02 -0.556357D+01  0.577706D+01  0.775253D+01 -0.163112D+02
      2  -0.372296D+02  0.672284D+01  0.732688D+01 -0.494655D+00 -0.228025D+00
      3  -0.416641D+01 -0.115927D+01 -0.131039D+02 -0.725788D+01  0.165392D+02
      4  -0.150920D+02  0.329860D+01  0.926514D+01  0.509416D+01  0.855395D+01
      5   0.426408D+00  0.499426D+01  0.166371D+02  0.467583D+01 -0.636056D+01
      6   0.126959D+02 -0.100132D+01  0.187449D+02  0.104486D+02 -0.797380D+01
                46            47            48            49            50 
      1   0.226646D+02  0.511108D+02 -0.140204D+02 -0.120033D+02  0.519573D+00
      2  -0.160315D+02 -0.375006D+02  0.505931D+01  0.103032D+02 -0.104258D+02
      3  -0.663311D+01 -0.136102D+02  0.896104D+01  0.170011D+01  0.990620D+01
      4  -0.434383D+00 -0.814789D+01  0.423708D+00  0.611093D+01  0.121287D+02
      5   0.107485D+02 -0.184813D+01 -0.161586D+01  0.205379D+01 -0.971633D+00
      6  -0.107206D+01  0.135838D+02 -0.114057D+02 -0.259814D+01  0.440934D+01
                51            52            53            54            55 
      1  -0.735186D+00 -0.418189D+01 -0.651773D+01 -0.230715D+02  0.115659D+02
      2   0.458107D+01  0.718669D+00  0.147516D+02  0.109640D+02 -0.138439D+02
      3  -0.384589D+01  0.346322D+01 -0.823384D+01  0.121075D+02  0.227795D+01
      4  -0.180199D+01 -0.991646D+00  0.224704D+01 -0.406534D+01  0.311937D+02
      5  -0.238454D+00  0.366116D+01  0.203852D-01  0.431201D+01 -0.123075D+02
      6   0.868429D+01 -0.524558D+01  0.230115D+02 -0.525711D+01 -0.265248D+01
                56            57            58            59            60 
      1   0.548678D+02 -0.103974D+02  0.271633D+01  0.214224D+02 -0.410787D+01
      2  -0.347968D+02  0.443875D+01  0.127896D+01 -0.223125D+02  0.408285D+01
      3  -0.200709D+02  0.595869D+01 -0.399529D+01  0.890111D+00  0.250198D-01
      4  -0.383630D+02 -0.212266D+00  0.303795D+02  0.177307D+02 -0.153561D+01
      5  -0.995753D+00 -0.113110D+02 -0.450471D+01 -0.146679D+00  0.559280D+01
      6   0.436082D+01 -0.950211D+01 -0.141651D+01  0.542972D+01  0.804430D+01
                61            62            63            64            65 
      1  -0.360071D+01 -0.994562D+01 -0.207734D+02  0.701509D+00  0.120490D+00
      2   0.255051D+01  0.105512D+02  0.772002D+01  0.189067D+01 -0.144507D+01
      3   0.105020D+01 -0.605607D+00  0.130534D+02 -0.259218D+01  0.132458D+01
      4  -0.503343D+01  0.839870D+01  0.129243D+02 -0.548356D+01  0.839291D+01
      5   0.217473D+01  0.149080D+02  0.150749D+01 -0.164852D+01  0.111732D+01
      6   0.165629D+00  0.212704D+02  0.240619D+00  0.125882D+01 -0.127452D+01
                66            67            68            69            70 
      1  -0.375079D+00  0.413245D+01 -0.212031D+02  0.101175D-01 -0.220015D+01
      2   0.182025D+00 -0.763478D+01  0.272331D+02 -0.537237D-01  0.170388D+01
      3   0.193054D+00  0.350233D+01 -0.603008D+01  0.436062D-01  0.496265D+00
      4   0.164007D+00  0.120692D+02 -0.176222D+02 -0.137186D+00 -0.590798D-01
      5   0.690114D+00  0.130622D+01 -0.273413D+00 -0.199195D+01  0.225339D+00
      6  -0.340969D+00 -0.213580D+01  0.400150D+01  0.465762D+01 -0.179164D+01
                71            72            73            74            75 
      1   0.235089D+01 -0.262909D+01  0.486862D+01 -0.349114D+01  0.135951D+01
      2  -0.217043D+01  0.277301D+01  0.473558D+01  0.107627D+02 -0.127303D+01
      3  -0.180459D+00 -0.143918D+00 -0.960420D+01 -0.727156D+01 -0.864728D-01
      4   0.965997D+00 -0.534120D+00  0.276920D+02  0.232591D+02 -0.536284D+01
      5   0.380297D+00  0.951434D-04 -0.877519D+01 -0.554283D+01  0.544310D+01
      6   0.161657D+01 -0.550028D+00 -0.755469D+01 -0.693388D+01  0.458683D+01
                76            77            78            79            80 
      1  -0.728186D+01 -0.145297D+02  0.395469D+01 -0.710718D+00  0.209345D+01
      2   0.160201D+02  0.248942D+02 -0.373543D+01 -0.259180D+01 -0.306226D+01
      3  -0.873820D+01 -0.103645D+02 -0.219262D+00  0.330252D+01  0.968810D+00
      4   0.267461D+02  0.302666D+02 -0.591917D+01 -0.642376D+01 -0.539161D+01
      5  -0.608484D+01 -0.625860D+01  0.466315D+01  0.141848D+01  0.327336D+01
      6  -0.873383D+01 -0.106379D+02  0.717334D+01  0.210610D+00  0.412245D+01
                81            82            83            84            85 
      1  -0.463895D+00 -0.510473D+01  0.932393D+01 -0.255512D+00  0.628297D+01
      2   0.134032D+01  0.780330D+01 -0.134579D+02  0.412634D+00 -0.779752D+01
      3  -0.876428D+00 -0.269857D+01  0.413396D+01 -0.157122D+00  0.151455D+01
      4   0.327903D+01 -0.503023D+01  0.129957D+02 -0.114523D+01  0.780503D+01
      5  -0.163741D+01  0.154110D+01 -0.250254D+01  0.205481D+01 -0.156207D+01
      6  -0.201316D+01 -0.166039D+01  0.187831D+01 -0.183002D+01  0.207658D+01
                86            87            88            89            90 
      1  -0.531528D+02  0.599325D+01 -0.160505D+00  0.453852D+01 -0.172577D+01
      2   0.712107D+02 -0.576619D+01  0.739629D+00 -0.577417D+01  0.205682D+01
      3  -0.180579D+02 -0.227056D+00 -0.579123D+00  0.123565D+01 -0.331046D+00
      4  -0.148776D+02  0.162986D+01 -0.879930D+00 -0.360131D+00 -0.129745D+01
      5   0.471775D+01 -0.156902D+01  0.923776D+00 -0.162067D+01  0.753337D-01
      6  -0.139771D+02  0.908360D+01  0.793256D+00  0.376404D+01 -0.132835D+01
                91            92            93            94            95 
      1  -0.334065D+02 -0.188427D+02 -0.109072D+02 -0.102788D+02 -0.258319D+00
      2   0.277760D+02  0.158264D+02  0.550581D+01  0.111397D+02 -0.185454D+00
      3   0.563047D+01  0.301625D+01  0.540139D+01 -0.860920D+00  0.443773D+00
      4  -0.125614D+02 -0.113707D+02  0.230960D+01 -0.219162D+02  0.134670D+02
      5  -0.143870D+02  0.203716D+01 -0.230132D+02  0.642576D+01  0.266073D+02
      6   0.174744D+01  0.485931D+01  0.422388D+00  0.720526D+01 -0.458458D+01
                96            97            98            99           100 
      1   0.917429D+01 -0.285066D+02 -0.608130D+00 -0.194392D+02 -0.585790D+02
      2  -0.990883D+01  0.208765D+02 -0.455783D+01  0.125296D+02  0.319988D+02
      3   0.734539D+00  0.763013D+01  0.516596D+01  0.690963D+01  0.265802D+02
      4   0.264900D+02  0.870379D+00  0.220624D+02 -0.927585D+01  0.278683D+02
      5  -0.254657D+01 -0.416495D+02 -0.114566D+02  0.261864D+00  0.283503D+02
      6  -0.972616D+01 -0.491113D+01 -0.291893D+01  0.628048D+01 -0.630695D+01
               101           102           103           104           105 
      1   0.262661D+02  0.267372D+02  0.662409D+01  0.507118D+01 -0.531829D+01
      2  -0.188880D+02 -0.545244D+01 -0.868004D+01 -0.442583D+01  0.193841D+02
      3  -0.737808D+01 -0.212848D+02  0.205595D+01 -0.645354D+00 -0.140658D+02
      4   0.108206D+02 -0.853588D+00  0.174981D+02 -0.164591D+02 -0.263746D+02
      5  -0.386342D+00  0.207774D+02  0.238869D+01 -0.276915D+02  0.545387D+01
      6  -0.408797D+01 -0.127146D+02 -0.749803D+01  0.145034D+02 -0.314738D+00
               106           107           108           109           110 
      1   0.189409D+02  0.826296D+00  0.368556D+02 -0.984008D+02 -0.144145D+02
      2  -0.736115D+01  0.151879D+02 -0.146549D+02  0.396953D+02  0.128508D+01
      3  -0.115798D+02 -0.160142D+02 -0.222006D+02  0.587056D+02  0.131294D+02
      4   0.263818D+01 -0.184104D+02  0.844372D+01 -0.259454D+02 -0.222720D+02
      5   0.146160D+02  0.143123D+02  0.129107D+02 -0.187503D+02 -0.701589D+01
      6  -0.802526D+01 -0.617703D+01 -0.148123D+02 -0.235433D+01 -0.265273D+01
               111           112           113           114           115 
      1  -0.117802D+02 -0.123666D+02 -0.945377D+01 -0.543064D+01  0.369914D+02
      2   0.317522D+01  0.183385D+01  0.767593D+01  0.130380D+01 -0.294478D+02
      3   0.860502D+01  0.105328D+02  0.177785D+01  0.412684D+01 -0.754358D+01
      4  -0.546072D+01  0.852876D+01 -0.948194D+01 -0.246116D+01 -0.359432D+01
      5  -0.862615D+01 -0.553363D+01 -0.343672D+01 -0.808782D+00  0.351756D+02
      6  -0.215925D+01 -0.438763D+01 -0.979249D-01  0.316878D+01  0.714135D+01
               116           117           118           119           120 
      1   0.645504D+00  0.271672D+02  0.168853D+02  0.933229D+01 -0.636443D+01
      2  -0.240816D+01 -0.894373D+01 -0.124114D+02 -0.679769D+01  0.568622D+01
      3   0.176266D+01 -0.182235D+02 -0.447389D+01 -0.253460D+01  0.678209D+00
      4  -0.100502D+01  0.327398D+01  0.150906D+02  0.124030D+02 -0.556555D+01
      5   0.446574D+01  0.391222D+01 -0.162432D+02 -0.659884D+01  0.172464D+02
      6  -0.232725D+01 -0.806475D+00 -0.548732D+01 -0.321689D+01  0.303898D+01
               121           122           123           124           125 
      1   0.188913D+02  0.224101D+01 -0.141012D+01 -0.861291D+01 -0.723792D+00
      2  -0.121828D+02 -0.111170D+01  0.351914D+01  0.873387D+01  0.446014D+01
      3  -0.670846D+01 -0.112932D+01 -0.210902D+01 -0.120965D+00 -0.373635D+01
      4   0.148920D+02  0.187407D+02 -0.153375D+02 -0.702236D+01 -0.158925D+02
      5  -0.121977D+02 -0.160008D+02  0.141915D+02  0.234642D+02  0.128065D+02
      6  -0.488237D+01 -0.856770D+01  0.885303D+01  0.475231D+01  0.768164D+01
               126           127           128           129           130 
      1   0.207540D+01 -0.582106D+01 -0.965892D+01 -0.204684D+02 -0.164603D+01
      2  -0.103264D+02  0.101975D+00  0.607620D+01  0.387245D+01  0.814896D+00
      3   0.825095D+01  0.571908D+01  0.358272D+01  0.165959D+02  0.831129D+00
      4   0.125038D+02  0.503313D+00 -0.512477D+01 -0.116486D+01  0.300051D+00
      5  -0.269776D+02 -0.422251D+01 -0.383778D+01 -0.989508D+01  0.663799D+00
      6  -0.793658D+01  0.378347D+01  0.597971D+01  0.108867D+02  0.137024D+01
               131           132           133           134           135 
      1  -0.100749D+02 -0.839601D+01 -0.126189D+02 -0.124122D+02 -0.383426D+02
      2   0.602256D+01  0.326044D+01  0.440725D+01  0.373894D+01 -0.170082D+01
      3   0.405231D+01  0.513558D+01  0.821160D+01  0.867328D+01  0.400434D+02
      4  -0.453368D+01 -0.408285D+01  0.688383D+01 -0.106257D+02 -0.112530D+02
      5  -0.395283D+01 -0.701062D+01  0.454814D+01 -0.151357D+02 -0.401172D+02
      6   0.676870D+01  0.115274D+02  0.786334D+00  0.152733D+02  0.286771D+02
               136           137           138           139           140 
      1   0.106754D+01 -0.950167D+01  0.977916D+00 -0.748362D+01 -0.164910D+02
      2   0.193829D+01  0.915436D+01 -0.302496D+01  0.292351D+01  0.301983D+02
      3  -0.300583D+01  0.347306D+00  0.204704D+01  0.456011D+01 -0.137073D+02
      4  -0.362471D+01 -0.329478D+01 -0.394053D+00  0.783075D+01 -0.272312D+02
      5   0.125582D+01  0.144135D+01 -0.432412D+01  0.169071D+01  0.116417D+02
      6  -0.103491D+01  0.299743D+00  0.325884D+01 -0.793894D-01 -0.339114D+01
               141           142           143           144           145 
      1   0.548085D+01  0.477413D+01  0.713796D+01 -0.975417D+01  0.937340D+02
      2  -0.125624D+02 -0.165690D+01 -0.165137D+02  0.103327D+02 -0.474548D+02
      3   0.708160D+01 -0.311724D+01  0.937577D+01 -0.578521D+00 -0.462791D+02
      4   0.962106D+01 -0.745275D+01  0.202703D+02 -0.845593D+01 -0.511904D+02
      5  -0.116488D+02 -0.145911D+01 -0.103595D+02  0.125559D+02 -0.385166D+02
      6   0.750110D+01  0.914954D+00  0.580521D+01 -0.654023D+01  0.103705D+02
               146           147           148           149           150 
      1  -0.184315D+02 -0.140179D+02 -0.912229D+01  0.827562D+01  0.126484D+01
      2   0.525877D+01  0.974212D+01  0.101499D+01 -0.138863D+01 -0.135986D+01
      3   0.131728D+02  0.427577D+01  0.810730D+01 -0.688699D+01  0.950196D-01
      4   0.248176D+02  0.104253D+02  0.166973D+02 -0.844687D+01 -0.854121D+00
      5   0.104291D+02  0.194917D+02  0.316732D+01 -0.222202D+01 -0.190127D+01
      6  -0.592110D+01 -0.604576D+01 -0.385938D+01  0.103466D+01  0.237248D+01
               151           152           153           154           155 
      1  -0.100916D+02  0.156357D+01  0.566677D+01  0.205943D+03  0.266087D+02
      2   0.773227D+01 -0.263850D+01 -0.524443D+01 -0.971838D+02 -0.938364D+01
      3   0.235938D+01  0.107494D+01 -0.422346D+00 -0.108759D+03 -0.172251D+02
      4   0.501673D+01 -0.604795D+00 -0.591733D+01  0.369380D+02  0.422614D+02
      5   0.163350D+02 -0.524825D+01 -0.968663D+01  0.409886D+02  0.818758D+01
      6  -0.428977D+01  0.308693D+01  0.359502D+01  0.900694D+00  0.478062D+01
               156           157           158           159           160 
      1   0.130755D+02  0.236358D+02  0.348898D+02  0.891341D+00  0.127970D+02
      2  -0.117822D+02 -0.663583D+01 -0.119568D+02 -0.767721D+00 -0.117721D+02
      3  -0.129335D+01 -0.169999D+02 -0.229329D+02 -0.123620D+00 -0.102491D+01
      4   0.610030D+01  0.501392D+02  0.255881D+02  0.531024D+01  0.505967D+01
      5   0.402064D+02  0.514590D+01  0.906402D+01  0.573705D+01  0.398127D+02
      6   0.148215D+01  0.940671D+01  0.374574D+01  0.564924D+01  0.234362D+01
               161           162           163           164           165 
      1   0.142221D+01  0.233671D+02  0.580597D+02  0.611824D+01  0.201744D+02
      2  -0.131053D+01 -0.159743D+02 -0.396749D+02 -0.245539D+01 -0.121039D+02
      3  -0.111679D+00 -0.739280D+01 -0.183847D+02 -0.366285D+01 -0.807047D+01
      4   0.283597D+01  0.625445D+01  0.741628D+01  0.602862D+01 -0.101313D+01
      5   0.684918D+01  0.119313D+02  0.376057D+02 -0.497668D+00  0.195289D+02
      6   0.460114D+01  0.186607D+01  0.352960D+01  0.669069D+00  0.582153D+00
               166           167           168           169           170 
      1   0.109661D+02 -0.105021D+02 -0.111608D-01 -0.375006D+01 -0.246786D+01
      2  -0.642568D+01  0.313239D+01  0.370919D+00 -0.883442D+00  0.154212D+01
      3  -0.454046D+01  0.736967D+01 -0.359758D+00  0.463350D+01  0.925743D+00
      4   0.222072D+01 -0.212102D+01  0.932146D+01 -0.204809D+01  0.508748D+01
      5   0.404538D+01  0.847384D+01 -0.551981D+00  0.118261D+02 -0.316436D+00
      6   0.198463D+01  0.266631D+00  0.113062D+02 -0.185621D+01  0.101456D+02
               171           172           173           174           175 
      1  -0.339391D+02 -0.538487D+02 -0.209686D+01  0.157435D+01 -0.815642D+01
      2  -0.105195D+02  0.340716D+02  0.137848D+01  0.804316D+01  0.613114D+01
      3   0.444585D+02  0.197772D+02  0.718389D+00 -0.961751D+01  0.202528D+01
      4  -0.149507D+01 -0.393240D+01 -0.391100D+01  0.376166D+00  0.174262D+00
      5   0.385375D+02 -0.292340D+02  0.657037D+00 -0.184112D+02 -0.325513D+01
      6  -0.823383D+00 -0.299855D+01 -0.299993D+01  0.104483D+00 -0.926549D+00
               176           177           178           179           180 
      1  -0.390116D+01  0.457383D+00 -0.156650D+02 -0.104358D+01 -0.991416D+01
      2   0.229480D+01  0.123050D+01  0.152162D+02  0.107256D+01  0.626379D+01
      3   0.160635D+01 -0.168789D+01  0.448853D+00 -0.289777D-01  0.365036D+01
      4  -0.285746D+00  0.256260D+01 -0.186955D+01 -0.781178D+00 -0.151726D+00
      5   0.233929D+01 -0.271201D+01 -0.157634D+02  0.932792D-01 -0.629816D+01
      6  -0.982891D+00  0.264041D+01 -0.738824D+00  0.511546D+00 -0.991088D+00
               181           182           183           184           185 
      1  -0.253989D+01 -0.564830D+02  0.828061D+01  0.897314D+02  0.314710D+02
      2   0.502944D+01  0.395885D+02 -0.352197D+01 -0.627373D+02 -0.250078D+02
      3  -0.248955D+01  0.168945D+02 -0.475864D+01 -0.269941D+02 -0.646316D+01
      4  -0.218727D+02  0.457856D+02  0.351780D+01  0.277615D+02 -0.330887D+02
      5   0.122510D+02  0.449487D+01  0.155550D+02 -0.556950D+01  0.625654D+01
      6   0.536767D+01  0.924035D+00  0.113743D+02  0.415538D+01  0.465819D+01
               186           187           188           189           190 
      1  -0.974877D+01 -0.389838D+01  0.700812D+01  0.159350D+01  0.132589D+03
      2   0.792153D+01  0.720172D+01 -0.224567D+01 -0.915134D+01 -0.726804D+02
      3   0.182725D+01 -0.330334D+01 -0.476245D+01  0.755784D+01 -0.599082D+02
      4   0.356070D+01  0.729759D+01  0.272056D+01  0.171596D+02  0.832605D+01
      5   0.102740D+02  0.290326D+02  0.169644D+02 -0.748556D+01 -0.830259D+00
      6   0.277376D+01  0.162892D+02  0.941522D+01 -0.351813D+01  0.274201D+01
               191           192           193           194           195 
      1   0.278445D+02 -0.120066D+02 -0.288926D+02 -0.281973D+02  0.897828D+01
      2  -0.166770D+02  0.338846D+01  0.285797D+02  0.296847D+02 -0.957809D+01
      3  -0.111675D+02  0.861819D+01  0.312899D+00 -0.148740D+01  0.599809D+00
      4   0.303924D+02 -0.382545D+01 -0.277758D+02  0.606421D+02 -0.313219D+01
      5  -0.517105D+01  0.652358D+01  0.989212D+01 -0.695749D+01 -0.139984D+01
      6   0.265469D+01 -0.431265D+01  0.103535D+01 -0.377822D+01 -0.455974D+01
               196           197           198           199           200 
      1   0.149978D+00  0.322733D+01  0.257751D+02 -0.108817D+03 -0.633360D+01
      2  -0.534145D+00 -0.290449D+01 -0.230087D+02  0.469201D+02  0.174105D+01
      3   0.384167D+00 -0.322840D+00 -0.276639D+01  0.618965D+02  0.459255D+01
      4   0.714476D+01 -0.888823D+01  0.934629D+00 -0.104369D+02 -0.328377D+02
      5   0.519941D+02  0.666262D+01 -0.697062D+01  0.119765D+02  0.158111D+01
      6  -0.176952D+01  0.424029D+01  0.323409D+01 -0.286975D+01  0.239880D+01
               201           202           203           204           205 
      1   0.848848D+01 -0.806972D+02 -0.805381D+01  0.506926D+01  0.199576D+02
      2  -0.364943D+01  0.516088D+02 -0.826167D+01 -0.141668D+01 -0.117607D+02
      3  -0.483906D+01  0.290884D+02  0.163155D+02 -0.365258D+01 -0.819698D+01
      4   0.140997D+01 -0.236341D+01 -0.208927D+02 -0.851845D+00 -0.157862D+01
      5   0.387878D+01  0.532034D+01  0.741810D+00 -0.112744D+02  0.339543D+01
      6   0.645868D-01 -0.369927D+01  0.419176D+01  0.711188D+01 -0.331795D+01
               206           207           208           209           210 
      1  -0.482146D+01 -0.200087D+02 -0.416394D+01 -0.318723D+02  0.847006D+01
      2   0.675804D+01  0.313215D+01  0.129500D+01  0.178797D+02 -0.462932D+00
      3  -0.193658D+01  0.168765D+02  0.286893D+01  0.139926D+02 -0.800713D+01
      4   0.232078D+01 -0.254839D+02 -0.267775D+02  0.734458D+01  0.483610D+01
      5  -0.272583D+02  0.104942D+02  0.237652D+01  0.477320D+01  0.244109D+02
      6   0.166126D+02 -0.695369D+00  0.984006D+00 -0.259508D+01  0.407817D+01
               211           212           213           214           215 
      1  -0.191961D+01  0.127937D+02  0.124386D+01  0.163227D+01  0.140763D+01
      2  -0.339589D+01 -0.406279D+01  0.182285D+01  0.220094D+00 -0.466218D+00
      3   0.531550D+01 -0.873088D+01 -0.306672D+01 -0.185236D+01 -0.941408D+00
      4   0.374754D+02 -0.172838D+02 -0.748013D+00 -0.118698D+01  0.476083D-01
      5  -0.161871D+00  0.152850D+01  0.897824D+01  0.760003D+01 -0.623417D+01
      6  -0.933576D+00  0.213246D+01  0.761222D+01 -0.315294D+01  0.402485D+01
               216           217           218           219           220 
      1  -0.235159D+00 -0.507392D+02  0.520347D+02 -0.187999D+01  0.570426D+02
      2   0.514684D+00  0.287224D+02 -0.281509D+02 -0.566914D+00 -0.280265D+02
      3  -0.279525D+00  0.220169D+02 -0.238838D+02  0.244691D+01 -0.290161D+02
      4  -0.707220D+01  0.514968D+02 -0.163618D+01 -0.134124D+02 -0.332267D+02
      5  -0.368816D+01 -0.139334D+01 -0.141779D+02 -0.774496D+01 -0.160860D+02
      6  -0.127239D+01 -0.607066D+01 -0.779562D+00 -0.950353D+00 -0.107241D+01
               221           222           223           224           225 
      1  -0.104592D+02 -0.209794D+02 -0.538177D+01 -0.163602D+02  0.220999D+01
      2   0.460374D+01  0.193129D+01 -0.214051D+01  0.222587D+01  0.125231D+01
      3   0.585548D+01  0.190482D+02  0.752228D+01  0.141344D+02 -0.346230D+01
      4  -0.220567D+02 -0.977017D+01 -0.132112D+02 -0.102540D+02 -0.482133D+02
      5  -0.107936D+02 -0.712383D+02 -0.241897D+02 -0.499502D+02  0.215760D+02
      6  -0.124099D+01 -0.145696D+02 -0.105243D+02 -0.113904D+02  0.760897D+01
               226           227           228           229           230 
      1  -0.521370D+01  0.140584D+02 -0.421529D+00  0.533353D+01 -0.488356D+02
      2   0.627504D+01 -0.139292D+02  0.496698D+00 -0.468449D+01  0.609935D+02
      3  -0.106133D+01 -0.129175D+00 -0.751693D-01 -0.649040D+00 -0.121579D+02
      4   0.141074D+01  0.435834D+01 -0.793499D+00  0.291064D+01  0.190389D+02
      5   0.233296D+00 -0.111358D+01  0.127016D+01 -0.222677D+00  0.104715D+01
      6  -0.208353D+00 -0.320750D+00 -0.137828D+01  0.362235D+00 -0.308432D+01
               231           232           233           234           235 
      1   0.390398D+01  0.275879D+00  0.327582D+01 -0.129574D+01  0.451940D+02
      2  -0.391908D+01 -0.130059D+00 -0.438906D+01  0.185818D+01 -0.178939D+02
      3   0.150961D-01 -0.145819D+00  0.111324D+01 -0.562437D+00 -0.273001D+02
      4  -0.132639D+01 -0.568444D+00 -0.265345D+01 -0.144085D+01  0.321905D+02
      5   0.162034D+01  0.172712D+01 -0.100021D+01 -0.154636D+00 -0.849611D+01
      6   0.694886D+01 -0.521126D-01  0.214471D+01 -0.784974D+00 -0.315721D+01
               236           237           238           239           240 
      1   0.124941D+02 -0.596631D+01  0.146108D+02  0.823976D+01 -0.172388D+01
      2  -0.565164D-01  0.246454D+01  0.387265D+01  0.102219D+02 -0.673441D+00
      3  -0.124376D+02  0.350177D+01 -0.184834D+02 -0.184617D+02  0.239732D+01
      4   0.253288D+02 -0.544120D+01  0.384947D+02  0.396929D+02 -0.716720D+01
      5  -0.386410D+01  0.437839D+01 -0.584771D+01 -0.487609D+01  0.569159D+01
      6  -0.251387D+01  0.219662D+01 -0.411780D+01 -0.451166D+01  0.485336D+01
               241           242           243           244           245 
      1  -0.745056D+01 -0.234272D+01 -0.454964D+00  0.792661D+00 -0.613123D+01
      2   0.179211D+01 -0.750158D+00  0.998165D+00  0.482291D+01 -0.245475D+01
      3   0.565844D+01  0.309288D+01 -0.543201D+00 -0.561557D+01  0.858598D+01
      4  -0.812541D+01 -0.685251D+01  0.245466D+01 -0.193393D+02  0.210345D+02
      5  -0.849179D+00  0.142947D+01 -0.114491D+01  0.244355D+01 -0.132334D+01
      6  -0.642005D+00  0.163137D+01 -0.928087D+00 -0.842570D+00  0.335621D-01
               246           247           248           249           250 
      1   0.101337D+01 -0.311998D+01 -0.153398D+02  0.109570D+01  0.595177D+00
      2  -0.484751D+00 -0.879739D+01  0.330809D+02 -0.911957D+00  0.601771D-01
      3  -0.528615D+00  0.119174D+02 -0.177411D+02 -0.183739D+00 -0.655354D+00
      4  -0.259484D+00  0.285412D+02 -0.538868D+02  0.305012D+01 -0.102606D+01
      5   0.293334D+01 -0.293477D+01  0.626155D+01 -0.597050D+01  0.177347D+01
      6  -0.167813D+01  0.161653D+01 -0.331267D+01  0.638523D+01 -0.233387D+01
               251           252           253           254           255 
      1   0.238038D+01 -0.124456D+01 -0.147464D+01  0.128422D+01 -0.120836D+02
      2  -0.272118D+01  0.236784D+01 -0.426455D+00 -0.585223D+00  0.448253D+01
      3   0.340800D+00 -0.112327D+01  0.190109D+01 -0.699002D+00  0.760107D+01
      4   0.369146D+01 -0.114590D+01 -0.634652D+00 -0.530386D+00 -0.145124D+01
      5  -0.328930D+00  0.176628D+00 -0.923610D+01 -0.897271D+00 -0.102205D+01
      6   0.227192D+01 -0.796545D+00 -0.158784D+01  0.486995D+00 -0.124594D+01
               256           257           258           259           260 
      1   0.113225D+02  0.266342D+01 -0.323654D+00 -0.333496D+02 -0.501228D+00
      2  -0.701519D+01 -0.651962D+00  0.279169D+01  0.230922D+02  0.307572D+01
      3  -0.430735D+01 -0.201145D+01 -0.246803D+01  0.102574D+02 -0.257449D+01
      4   0.202515D+02  0.243714D+02 -0.201361D+02 -0.153981D+02 -0.208848D+02
      5  -0.143414D+02 -0.196637D+02  0.345250D+02  0.385286D+02  0.306606D+02
      6  -0.505400D+01 -0.826977D+01  0.116726D+02  0.861250D+01  0.111599D+02
               261           262           263           264           265 
      1   0.228808D+01  0.191988D+02  0.786826D+01  0.128383D+02  0.272863D+02
      2  -0.155166D+02 -0.849411D+01 -0.284746D+01 -0.622858D+01 -0.105691D+02
      3   0.132286D+02 -0.107047D+02 -0.502081D+01 -0.660973D+01 -0.167172D+02
      4   0.296929D+02  0.956700D+01  0.752526D+01  0.738399D+01  0.349299D+02
      5  -0.678460D+02  0.154038D+02  0.702633D+01  0.370465D+01  0.193987D+02
      6  -0.148910D+02  0.322887D+01  0.809989D+00 -0.200390D+00  0.486180D+01
               266           267           268           269           270 
      1   0.143731D+02  0.969856D+01  0.447112D+02  0.123282D+02  0.100982D+02
      2   0.201853D-01 -0.962644D+00 -0.217591D+02 -0.293666D+01 -0.709332D+01
      3  -0.143933D+02 -0.873592D+01 -0.229521D+02 -0.939154D+01 -0.300487D+01
      4   0.411032D+02  0.236094D+02  0.258377D+02  0.289598D+02  0.285312D+02
      5   0.248372D+02  0.316268D+02  0.315453D+02  0.302665D+02  0.414659D+02
      6   0.646008D+01  0.802069D+01  0.785613D+01  0.842035D+01  0.814971D+01
               271           272           273           274           275 
      1   0.180023D+03 -0.332459D+02 -0.116133D+02 -0.747276D+02  0.259040D+02
      2  -0.942498D+02  0.175904D+02  0.730376D+01  0.387459D+02 -0.121694D+02
      3  -0.857730D+02  0.156555D+02  0.430952D+01  0.359817D+02 -0.137346D+02
      4  -0.369567D+02  0.205253D+02  0.378175D+01  0.329143D+02 -0.230827D+02
      5  -0.160198D+02  0.407127D+01  0.179116D+02  0.814386D+01 -0.174291D+01
      6   0.334425D+01 -0.156609D+01 -0.657428D+00 -0.265235D+01  0.200693D+01
               276           277           278           279 
      1   0.604435D+01 -0.718795D+01  0.284170D+01  0.150549D+02
      2  -0.345429D+01  0.534874D+01 -0.124981D+01 -0.919743D+01
      3  -0.259006D+01  0.183921D+01 -0.159189D+01 -0.585751D+01
      4  -0.169704D+01  0.324290D+01  0.291973D+00 -0.500486D+00
      5  -0.671928D+01  0.228822D+02 -0.366235D+00 -0.575230D+01
      6   0.206080D+01 -0.114862D+01  0.257500D+01  0.160981D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 01:01:54 2021, MaxMem=  5368709120 cpu:           73105.6 elap:            9160.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31574 -19.31531 -19.25365 -10.42913 -10.37561
 Alpha  occ. eigenvalues --  -10.36144 -10.32913 -10.32542 -10.32532 -10.32134
 Alpha  occ. eigenvalues --  -10.32054 -10.31868 -10.31783 -10.31572 -10.31500
 Alpha  occ. eigenvalues --  -10.30573 -10.30415  -1.20927  -1.18809  -1.12596
 Alpha  occ. eigenvalues --   -0.99999  -0.95512  -0.91032  -0.89311  -0.85473
 Alpha  occ. eigenvalues --   -0.84878  -0.80309  -0.77038  -0.73722  -0.71532
 Alpha  occ. eigenvalues --   -0.71138  -0.69535  -0.63990  -0.62956  -0.62250
 Alpha  occ. eigenvalues --   -0.60197  -0.57461  -0.57348  -0.55825  -0.55411
 Alpha  occ. eigenvalues --   -0.54734  -0.53884  -0.52607  -0.52070  -0.50619
 Alpha  occ. eigenvalues --   -0.50311  -0.49850  -0.49140  -0.47433  -0.46417
 Alpha  occ. eigenvalues --   -0.45791  -0.45113  -0.43889  -0.43566  -0.41945
 Alpha  occ. eigenvalues --   -0.40693  -0.40256  -0.38288  -0.35513  -0.32491
 Alpha  occ. eigenvalues --   -0.29236
 Alpha virt. eigenvalues --    0.00164   0.02714   0.03478   0.03520   0.03783
 Alpha virt. eigenvalues --    0.04638   0.04997   0.05214   0.05896   0.06139
 Alpha virt. eigenvalues --    0.06450   0.06836   0.06971   0.08144   0.08452
 Alpha virt. eigenvalues --    0.08663   0.09197   0.09686   0.10487   0.10798
 Alpha virt. eigenvalues --    0.11130   0.11220   0.12140   0.12525   0.12679
 Alpha virt. eigenvalues --    0.13086   0.13253   0.13589   0.13888   0.14136
 Alpha virt. eigenvalues --    0.14295   0.14724   0.14859   0.15436   0.15523
 Alpha virt. eigenvalues --    0.16039   0.16144   0.16627   0.17185   0.17520
 Alpha virt. eigenvalues --    0.17661   0.18019   0.18179   0.18449   0.18925
 Alpha virt. eigenvalues --    0.19031   0.19545   0.19785   0.20105   0.20529
 Alpha virt. eigenvalues --    0.20899   0.21340   0.21565   0.22226   0.22435
 Alpha virt. eigenvalues --    0.23612   0.24046   0.24112   0.24512   0.25174
 Alpha virt. eigenvalues --    0.25324   0.25388   0.25854   0.25997   0.26374
 Alpha virt. eigenvalues --    0.26681   0.27078   0.27541   0.27941   0.28590
 Alpha virt. eigenvalues --    0.28808   0.29002   0.29583   0.30171   0.30351
 Alpha virt. eigenvalues --    0.30444   0.30896   0.31314   0.31738   0.31938
 Alpha virt. eigenvalues --    0.32173   0.32526   0.32727   0.33473   0.33812
 Alpha virt. eigenvalues --    0.33972   0.34364   0.34599   0.34704   0.35227
 Alpha virt. eigenvalues --    0.35622   0.35883   0.36158   0.36494   0.36848
 Alpha virt. eigenvalues --    0.37362   0.37712   0.37909   0.38556   0.38884
 Alpha virt. eigenvalues --    0.39289   0.39619   0.39745   0.40230   0.40500
 Alpha virt. eigenvalues --    0.40972   0.41540   0.41587   0.42263   0.42591
 Alpha virt. eigenvalues --    0.43140   0.43453   0.43592   0.44084   0.44729
 Alpha virt. eigenvalues --    0.45257   0.46031   0.46118   0.46424   0.46827
 Alpha virt. eigenvalues --    0.47181   0.47617   0.48367   0.49242   0.49420
 Alpha virt. eigenvalues --    0.50071   0.50263   0.50995   0.51824   0.52225
 Alpha virt. eigenvalues --    0.53208   0.53560   0.53788   0.54279   0.54619
 Alpha virt. eigenvalues --    0.54934   0.55259   0.56141   0.56581   0.57318
 Alpha virt. eigenvalues --    0.57950   0.58351   0.58569   0.58847   0.59327
 Alpha virt. eigenvalues --    0.59435   0.59875   0.60154   0.60784   0.61493
 Alpha virt. eigenvalues --    0.61952   0.62260   0.62649   0.63065   0.63634
 Alpha virt. eigenvalues --    0.64085   0.64414   0.64980   0.65189   0.65831
 Alpha virt. eigenvalues --    0.66264   0.66525   0.66915   0.67404   0.67675
 Alpha virt. eigenvalues --    0.68216   0.68433   0.69337   0.69796   0.69946
 Alpha virt. eigenvalues --    0.70008   0.71018   0.71297   0.71641   0.71986
 Alpha virt. eigenvalues --    0.72707   0.72985   0.73430   0.73781   0.74018
 Alpha virt. eigenvalues --    0.74736   0.75081   0.75159   0.75528   0.76043
 Alpha virt. eigenvalues --    0.76752   0.77569   0.77934   0.78430   0.79069
 Alpha virt. eigenvalues --    0.79555   0.80509   0.80879   0.81339   0.81496
 Alpha virt. eigenvalues --    0.82076   0.82209   0.82778   0.83033   0.83521
 Alpha virt. eigenvalues --    0.84242   0.84378   0.84746   0.85190   0.85765
 Alpha virt. eigenvalues --    0.85928   0.86980   0.87599   0.88006   0.88815
 Alpha virt. eigenvalues --    0.89244   0.90253   0.91012   0.91434   0.92157
 Alpha virt. eigenvalues --    0.92462   0.93301   0.93567   0.94050   0.94131
 Alpha virt. eigenvalues --    0.95183   0.96286   0.96913   0.97301   0.97961
 Alpha virt. eigenvalues --    1.00195   1.00827   1.01425   1.01656   1.01947
 Alpha virt. eigenvalues --    1.02902   1.04875   1.05854   1.06478   1.07020
 Alpha virt. eigenvalues --    1.08513   1.09190   1.10079   1.10768   1.11964
 Alpha virt. eigenvalues --    1.12857   1.13790   1.15079   1.15278   1.16856
 Alpha virt. eigenvalues --    1.17099   1.18449   1.18734   1.20304   1.22066
 Alpha virt. eigenvalues --    1.22411   1.23213   1.24945   1.25443   1.26473
 Alpha virt. eigenvalues --    1.27253   1.28336   1.28898   1.29652   1.30399
 Alpha virt. eigenvalues --    1.31036   1.32314   1.32993   1.34673   1.36013
 Alpha virt. eigenvalues --    1.36933   1.37545   1.38726   1.40233   1.40849
 Alpha virt. eigenvalues --    1.40898   1.41793   1.42072   1.43564   1.45313
 Alpha virt. eigenvalues --    1.46121   1.46306   1.46990   1.47508   1.49437
 Alpha virt. eigenvalues --    1.49819   1.50676   1.51388   1.51926   1.53009
 Alpha virt. eigenvalues --    1.53234   1.54124   1.54470   1.54821   1.55733
 Alpha virt. eigenvalues --    1.56791   1.57448   1.58985   1.59565   1.59672
 Alpha virt. eigenvalues --    1.59957   1.61225   1.62771   1.62937   1.63540
 Alpha virt. eigenvalues --    1.64277   1.65456   1.66643   1.67052   1.67446
 Alpha virt. eigenvalues --    1.68369   1.69077   1.69983   1.70421   1.71130
 Alpha virt. eigenvalues --    1.72080   1.72695   1.73197   1.73398   1.74451
 Alpha virt. eigenvalues --    1.75103   1.76565   1.77051   1.77735   1.78382
 Alpha virt. eigenvalues --    1.79577   1.80728   1.81359   1.82030   1.82835
 Alpha virt. eigenvalues --    1.84323   1.85224   1.85824   1.86940   1.87285
 Alpha virt. eigenvalues --    1.88214   1.89352   1.90311   1.92450   1.92914
 Alpha virt. eigenvalues --    1.93649   1.93859   1.95934   1.96608   1.97662
 Alpha virt. eigenvalues --    1.97970   1.98489   1.98998   1.99593   2.00520
 Alpha virt. eigenvalues --    2.01971   2.03279   2.03745   2.04489   2.05975
 Alpha virt. eigenvalues --    2.06496   2.06887   2.07217   2.07799   2.08698
 Alpha virt. eigenvalues --    2.09472   2.10553   2.11371   2.11700   2.12894
 Alpha virt. eigenvalues --    2.13601   2.14472   2.15418   2.15715   2.17119
 Alpha virt. eigenvalues --    2.17182   2.18752   2.19870   2.20632   2.21574
 Alpha virt. eigenvalues --    2.22152   2.22756   2.24376   2.24772   2.25681
 Alpha virt. eigenvalues --    2.27380   2.28886   2.30022   2.30748   2.31563
 Alpha virt. eigenvalues --    2.32726   2.34244   2.35181   2.36600   2.38293
 Alpha virt. eigenvalues --    2.39599   2.40388   2.41483   2.42987   2.44204
 Alpha virt. eigenvalues --    2.45575   2.46747   2.48884   2.49418   2.50589
 Alpha virt. eigenvalues --    2.51064   2.52390   2.55590   2.57634   2.59129
 Alpha virt. eigenvalues --    2.61027   2.62988   2.63932   2.67463   2.68511
 Alpha virt. eigenvalues --    2.69965   2.71341   2.73082   2.73322   2.76199
 Alpha virt. eigenvalues --    2.78673   2.80148   2.80989   2.82319   2.85168
 Alpha virt. eigenvalues --    2.86888   2.88973   2.91475   2.93122   2.96956
 Alpha virt. eigenvalues --    2.99519   3.02382   3.05912   3.07021   3.11570
 Alpha virt. eigenvalues --    3.16305   3.26364   3.26761   3.37307   3.43017
 Alpha virt. eigenvalues --    3.45885   3.46501   3.47753   3.48853   3.49751
 Alpha virt. eigenvalues --    3.50838   3.53613   3.55030   3.56403   3.58842
 Alpha virt. eigenvalues --    3.59295   3.59988   3.63569   3.67759   3.73765
 Alpha virt. eigenvalues --    3.78705   3.81256   3.87343   3.90673   3.97269
 Alpha virt. eigenvalues --    4.11214   4.44943   4.68350
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   42.768483 -10.750315  -8.009533   2.305767  -2.436182   1.287347
     2  C  -10.750315  41.161189   0.979226  -0.976441   3.856707  -8.456130
     3  C   -8.009533   0.979226  35.367955 -12.664918   0.535083  -3.561059
     4  C    2.305767  -0.976441 -12.664918  24.890181  -8.714477   3.797780
     5  C   -2.436182   3.856707   0.535083  -8.714477  33.321364 -16.930253
     6  C    1.287347  -8.456130  -3.561059   3.797780 -16.930253  35.403028
     7  C  -10.382357  -4.556251  -0.895450  -3.468681  -0.008450  -0.183092
     8  H    1.219571  -0.688141  -4.744973   1.251212   0.484852  -0.197209
     9  H   -0.005952  -0.578232  -0.127895   1.004470  -3.645405   2.325218
    10  H   -0.710879   0.888952   0.018307  -0.609093   2.579229  -3.970589
    11  C    0.645233  -0.638118  -1.502264  -1.530179  -2.339803  -0.092738
    12  C   -0.004100   0.065373  -0.309546  -0.257095  -0.131775  -0.038191
    13  C    0.068106  -0.050906  -0.614933   0.063827  -0.159864   0.028232
    14  H   -0.094500  -0.036462   0.174313  -0.071636   0.066281   0.082064
    15  H    0.047217  -0.004486  -0.005999  -0.547451  -0.061925   0.025292
    16  H   -0.053956  -0.005812   0.340367  -0.353650  -0.043062   0.040367
    17  H   -0.019847   0.018498  -0.150943   0.585027   0.043074  -0.030616
    18  O   -0.011505   0.009046   0.044555  -0.015525   0.030284  -0.008347
    19  O    0.000983   0.013069   0.024232  -0.100344  -0.022435  -0.010187
    20  H    0.000057  -0.042607   0.030835   0.010768  -0.094589   0.058777
    21  C    1.511801 -10.450265  -0.416759   0.516824   0.143454  -0.665506
    22  C   -8.999029   0.504996  -0.600015   0.213038   0.320037  -0.013356
    23  C   -4.906078  -6.439663  -0.243797  -0.123456  -0.609698  -4.692024
    24  O    0.267500  -0.296726   0.010409   0.018516  -0.048370  -0.061115
    25  C   -0.028941   0.041975  -0.029574   0.022739  -0.011152   0.021477
    26  H    2.145365  -0.791959   0.155223   0.280777  -0.017057  -0.056851
    27  H   -0.290001   0.159959  -0.224609   0.012934   0.020565   0.035948
    28  H   -0.436555   1.684228  -0.072050   0.071169   0.144787   0.547421
    29  H   -0.014071  -0.079572  -0.000490  -0.002035   0.001538   0.006632
    30  H   -0.012387  -0.082804   0.000348  -0.001416   0.000506   0.007642
    31  H    0.007124   0.146210  -0.001869   0.003551  -0.004025  -0.008949
               7          8          9         10         11         12
     1  C  -10.382357   1.219571  -0.005952  -0.710879   0.645233  -0.004100
     2  C   -4.556251  -0.688141  -0.578232   0.888952  -0.638118   0.065373
     3  C   -0.895450  -4.744973  -0.127895   0.018307  -1.502264  -0.309546
     4  C   -3.468681   1.251212   1.004470  -0.609093  -1.530179  -0.257095
     5  C   -0.008450   0.484852  -3.645405   2.579229  -2.339803  -0.131775
     6  C   -0.183092  -0.197209   2.325218  -3.970589  -0.092738  -0.038191
     7  C   44.634076   0.507207   0.099983  -0.301308  -0.076914  -0.022670
     8  H    0.507207   4.496650  -0.054836   0.014831   0.039302   0.123279
     9  H    0.099983  -0.054836   3.398687  -0.272376  -0.019414   0.027733
    10  H   -0.301308   0.014831  -0.272376   3.155675   0.039633   0.003673
    11  C   -0.076914   0.039302  -0.019414   0.039633  13.222512   0.255566
    12  C   -0.022670   0.123279   0.027733   0.003673   0.255566   4.862822
    13  C   -0.017860   0.106623   0.019250   0.001876  -0.637721  -0.025166
    14  H    0.013418   0.009111  -0.036296   0.004480  -1.022761   0.080707
    15  H   -0.022304  -0.072196   0.004206   0.000304   0.690475   0.002193
    16  H   -0.023267  -0.104618   0.001158   0.000990  -0.214646   0.394439
    17  H    0.007535   0.032483   0.001606  -0.000383  -0.142499   0.015383
    18  O   -0.002055   0.001052  -0.005414   0.000210  -0.117373   0.058059
    19  O   -0.003169  -0.005221  -0.001223   0.000004   0.106501   0.028964
    20  H    0.021569  -0.025654   0.006569  -0.002197   0.028296  -0.026737
    21  C   -7.722855   0.128283  -0.025169   0.120600   0.115133  -0.009796
    22  C    1.541632   0.044966   0.020991   0.153515   0.014288   0.008055
    23  C  -10.068125  -0.090594  -0.131937   0.969946  -0.372123   0.002748
    24  O   -0.084766  -0.000341   0.000003  -0.006850   0.000176  -0.000031
    25  C   -0.065703  -0.001028  -0.000174  -0.000619   0.001280   0.000021
    26  H   -4.205402  -0.310668   0.005593  -0.001734   0.048449  -0.005764
    27  H    0.684146   0.022287  -0.002086   0.003289  -0.000484  -0.000155
    28  H    0.227206   0.002161  -0.000295  -0.176038   0.003107  -0.000507
    29  H    0.093183  -0.000215   0.000095  -0.000772   0.000016  -0.000008
    30  H    0.092982  -0.000626   0.000095  -0.000825  -0.000056   0.000003
    31  H   -0.072611  -0.000178  -0.000112   0.001566   0.000144   0.000010
              13         14         15         16         17         18
     1  C    0.068106  -0.094500   0.047217  -0.053956  -0.019847  -0.011505
     2  C   -0.050906  -0.036462  -0.004486  -0.005812   0.018498   0.009046
     3  C   -0.614933   0.174313  -0.005999   0.340367  -0.150943   0.044555
     4  C    0.063827  -0.071636  -0.547451  -0.353650   0.585027  -0.015525
     5  C   -0.159864   0.066281  -0.061925  -0.043062   0.043074   0.030284
     6  C    0.028232   0.082064   0.025292   0.040367  -0.030616  -0.008347
     7  C   -0.017860   0.013418  -0.022304  -0.023267   0.007535  -0.002055
     8  H    0.106623   0.009111  -0.072196  -0.104618   0.032483   0.001052
     9  H    0.019250  -0.036296   0.004206   0.001158   0.001606  -0.005414
    10  H    0.001876   0.004480   0.000304   0.000990  -0.000383   0.000210
    11  C   -0.637721  -1.022761   0.690475  -0.214646  -0.142499  -0.117373
    12  C   -0.025166   0.080707   0.002193   0.394439   0.015383   0.058059
    13  C    6.510905   0.069712   0.049625  -0.050540   0.008573   0.205751
    14  H    0.069712   2.044462  -0.022780   0.109281  -0.070654   0.069508
    15  H    0.049625  -0.022780   1.746194  -0.219917  -0.421549  -0.001510
    16  H   -0.050540   0.109281  -0.219917   1.552967  -0.433913   0.017841
    17  H    0.008573  -0.070654  -0.421549  -0.433913   1.845840  -0.000664
    18  O    0.205751   0.069508  -0.001510   0.017841  -0.000664   8.364684
    19  O   -0.248200   0.037437   0.001249   0.042327  -0.019845  -0.076164
    20  H   -0.038195   0.002566   0.003542  -0.000556  -0.000246   0.013173
    21  C    0.011321   0.005064  -0.009369   0.001290   0.002305  -0.000329
    22  C    0.004534  -0.000860   0.002628  -0.001770  -0.000276  -0.000166
    23  C   -0.036046  -0.016627  -0.001661  -0.000980   0.001149   0.002138
    24  O   -0.000072  -0.000021   0.000020   0.000061  -0.000013   0.000000
    25  C    0.000073   0.000045   0.000061   0.000041  -0.000007  -0.000001
    26  H   -0.001156  -0.001430   0.004564   0.001989  -0.000573  -0.000159
    27  H   -0.000435  -0.000039  -0.000270  -0.000194   0.000094   0.000024
    28  H    0.000560   0.000343  -0.000244  -0.000393   0.000182   0.000003
    29  H    0.000022   0.000001   0.000006  -0.000008  -0.000001  -0.000000
    30  H    0.000035  -0.000000  -0.000001  -0.000006   0.000001  -0.000000
    31  H    0.000002   0.000004   0.000007   0.000010  -0.000001  -0.000000
              19         20         21         22         23         24
     1  C    0.000983   0.000057   1.511801  -8.999029  -4.906078   0.267500
     2  C    0.013069  -0.042607 -10.450265   0.504996  -6.439663  -0.296726
     3  C    0.024232   0.030835  -0.416759  -0.600015  -0.243797   0.010409
     4  C   -0.100344   0.010768   0.516824   0.213038  -0.123456   0.018516
     5  C   -0.022435  -0.094589   0.143454   0.320037  -0.609698  -0.048370
     6  C   -0.010187   0.058777  -0.665506  -0.013356  -4.692024  -0.061115
     7  C   -0.003169   0.021569  -7.722855   1.541632 -10.068125  -0.084766
     8  H   -0.005221  -0.025654   0.128283   0.044966  -0.090594  -0.000341
     9  H   -0.001223   0.006569  -0.025169   0.020991  -0.131937   0.000003
    10  H    0.000004  -0.002197   0.120600   0.153515   0.969946  -0.006850
    11  C    0.106501   0.028296   0.115133   0.014288  -0.372123   0.000176
    12  C    0.028964  -0.026737  -0.009796   0.008055   0.002748  -0.000031
    13  C   -0.248200  -0.038195   0.011321   0.004534  -0.036046  -0.000072
    14  H    0.037437   0.002566   0.005064  -0.000860  -0.016627  -0.000021
    15  H    0.001249   0.003542  -0.009369   0.002628  -0.001661   0.000020
    16  H    0.042327  -0.000556   0.001290  -0.001770  -0.000980   0.000061
    17  H   -0.019845  -0.000246   0.002305  -0.000276   0.001149  -0.000013
    18  O   -0.076164   0.013173  -0.000329  -0.000166   0.002138   0.000000
    19  O    8.492177   0.191143  -0.003365   0.002503  -0.005789  -0.000009
    20  H    0.191143   0.691135  -0.002684   0.003745  -0.016116   0.000008
    21  C   -0.003365  -0.002684  24.620371  -3.937493   1.883191   0.941986
    22  C    0.002503   0.003745  -3.937493  20.918876  -4.468710  -1.247852
    23  C   -0.005789  -0.016116   1.883191  -4.468710  38.410509   0.162568
    24  O   -0.000009   0.000008   0.941986  -1.247852   0.162568   9.392288
    25  C    0.000017   0.000071   0.003503   0.079525  -0.172507   0.131267
    26  H    0.000277   0.000852   1.883661  -0.430002   0.153987   0.003893
    27  H   -0.000061  -0.000275  -2.693033   1.017904   0.088658  -0.155922
    28  H   -0.000073   0.000367  -0.323662   0.779479  -3.427674  -0.122069
    29  H    0.000004   0.000023   0.121528  -0.352504   0.129002   0.155061
    30  H   -0.000000   0.000018   0.136988  -0.370936   0.130314   0.158941
    31  H    0.000002   0.000004  -0.267750   0.790475  -0.320494  -0.502400
              25         26         27         28         29         30
     1  C   -0.028941   2.145365  -0.290001  -0.436555  -0.014071  -0.012387
     2  C    0.041975  -0.791959   0.159959   1.684228  -0.079572  -0.082804
     3  C   -0.029574   0.155223  -0.224609  -0.072050  -0.000490   0.000348
     4  C    0.022739   0.280777   0.012934   0.071169  -0.002035  -0.001416
     5  C   -0.011152  -0.017057   0.020565   0.144787   0.001538   0.000506
     6  C    0.021477  -0.056851   0.035948   0.547421   0.006632   0.007642
     7  C   -0.065703  -4.205402   0.684146   0.227206   0.093183   0.092982
     8  H   -0.001028  -0.310668   0.022287   0.002161  -0.000215  -0.000626
     9  H   -0.000174   0.005593  -0.002086  -0.000295   0.000095   0.000095
    10  H   -0.000619  -0.001734   0.003289  -0.176038  -0.000772  -0.000825
    11  C    0.001280   0.048449  -0.000484   0.003107   0.000016  -0.000056
    12  C    0.000021  -0.005764  -0.000155  -0.000507  -0.000008   0.000003
    13  C    0.000073  -0.001156  -0.000435   0.000560   0.000022   0.000035
    14  H    0.000045  -0.001430  -0.000039   0.000343   0.000001  -0.000000
    15  H    0.000061   0.004564  -0.000270  -0.000244   0.000006  -0.000001
    16  H    0.000041   0.001989  -0.000194  -0.000393  -0.000008  -0.000006
    17  H   -0.000007  -0.000573   0.000094   0.000182  -0.000001   0.000001
    18  O   -0.000001  -0.000159   0.000024   0.000003  -0.000000  -0.000000
    19  O    0.000017   0.000277  -0.000061  -0.000073   0.000004  -0.000000
    20  H    0.000071   0.000852  -0.000275   0.000367   0.000023   0.000018
    21  C    0.003503   1.883661  -2.693033  -0.323662   0.121528   0.136988
    22  C    0.079525  -0.430002   1.017904   0.779479  -0.352504  -0.370936
    23  C   -0.172507   0.153987   0.088658  -3.427674   0.129002   0.130314
    24  O    0.131267   0.003893  -0.155922  -0.122069   0.155061   0.158941
    25  C    4.145948   0.019438  -0.070273   0.041707   0.357007   0.361448
    26  H    0.019438   3.417868  -0.325552   0.011595   0.004438   0.005757
    27  H   -0.070273  -0.325552   3.961523  -0.040848  -0.069902  -0.076927
    28  H    0.041707   0.011595  -0.040848   2.985045   0.011185   0.010449
    29  H    0.357007   0.004438  -0.069902   0.011185   1.314191  -0.090426
    30  H    0.361448   0.005757  -0.076927   0.010449  -0.090426   1.313031
    31  H    0.181264  -0.001482   0.039484  -0.015461  -0.473444  -0.473855
              31
     1  C    0.007124
     2  C    0.146210
     3  C   -0.001869
     4  C    0.003551
     5  C   -0.004025
     6  C   -0.008949
     7  C   -0.072611
     8  H   -0.000178
     9  H   -0.000112
    10  H    0.001566
    11  C    0.000144
    12  C    0.000010
    13  C    0.000002
    14  H    0.000004
    15  H    0.000007
    16  H    0.000010
    17  H   -0.000001
    18  O   -0.000000
    19  O    0.000002
    20  H    0.000004
    21  C   -0.267750
    22  C    0.790475
    23  C   -0.320494
    24  O   -0.502400
    25  C    0.181264
    26  H   -0.001482
    27  H    0.039484
    28  H   -0.015461
    29  H   -0.473444
    30  H   -0.473855
    31  H    2.427504
 Mulliken charges:
               1
     1  C    0.891632
     2  C    1.395460
     3  C    2.495825
     4  C    0.387817
     5  C   -0.269240
     6  C    1.308989
     7  C    0.260355
     8  H   -1.187373
     9  H   -1.008842
    10  H   -0.903414
    11  C   -0.503020
    12  C    0.902512
    13  C    0.732067
    14  H   -0.394730
    15  H   -0.185924
    16  H    0.004159
    17  H   -0.269717
    18  O   -0.577115
    19  O   -0.444805
    20  H    0.186339
    21  C    0.380732
    22  C    0.001784
    23  C    0.209891
    24  O   -0.716143
    25  C    0.971076
    26  H   -0.993937
    27  H   -1.095749
    28  H   -0.905124
    29  H   -0.110482
    30  H   -0.108294
    31  H   -0.454730
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.891632
     2  C    1.395460
     3  C    1.308452
     4  C    0.387817
     5  C   -1.278082
     6  C    0.405575
     7  C   -0.733581
    11  C   -0.897749
    12  C    0.451030
    13  C    0.732067
    18  O   -0.577115
    19  O   -0.258466
    21  C   -0.715016
    22  C    0.001784
    23  C   -0.695234
    24  O   -0.716143
    25  C    0.297570
 Electronic spatial extent (au):  <R**2>=           5529.9287
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8278    Y=             -2.0967    Z=             -1.7668  Tot=              6.4406
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.2217   YY=            -91.1329   ZZ=           -105.3675
   XY=              1.7324   XZ=            -13.4719   YZ=             -2.2644
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.3143   YY=             11.7745   ZZ=             -2.4602
   XY=              1.7324   XZ=            -13.4719   YZ=             -2.2644
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -264.8711  YYY=              5.4759  ZZZ=              5.1270  XYY=              1.8461
  XXY=            -53.9529  XXZ=            -37.0536  XZZ=             -5.7297  YZZ=             -1.7001
  YYZ=              0.2862  XYZ=             -0.3347
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6314.8838 YYYY=           -717.3476 ZZZZ=           -424.0763 XXXY=             34.3591
 XXXZ=           -292.2397 YYYX=              1.5890 YYYZ=            -13.0125 ZZZX=            -14.6490
 ZZZY=              4.9490 XXYY=          -1104.2751 XXZZ=          -1134.3937 YYZZ=           -206.1516
 XXYZ=            -25.2415 YYXZ=              2.0213 ZZXY=             -3.0817
 N-N= 1.134183659722D+03 E-N=-4.055886369981D+03  KE= 7.630550253475D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 01:01:55 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        7.8331    7.8326        6.9709    6.9607
 2     -7.8331   -7.8326        2.6697    2.6689      -66.3999  -66.3918
 3     -6.9709   -6.9607       93.5350   93.5222       -2.6702   -2.6689
 4     -2.6697   -2.6689        0.0000    0.0000       -6.9684   -6.9607
 5    -27.1352  -27.1305        6.9684    6.9607        7.8350    7.8326
 6      2.6702    2.6689       -7.8350   -7.8326        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -23.4979  -23.4979       20.8821   20.8822
 2     -8.0067   -8.0067        0.0000    0.0000       20.8822   20.8822
 3     -8.0067   -8.0067      -23.4979  -23.4979        0.0000    0.0000
 4    -23.4979  -23.4979        8.0067    8.0067     -199.1753 -199.1753
 5    -20.8822  -20.8822      280.5667  280.5667       -8.0066   -8.0067
 6    -81.3914  -81.3914       20.8821   20.8822       23.4978   23.4979
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.9749    0.0000      -30.4963  -31.3305      -28.7688  -27.8429
 2     32.0044   31.3305      -10.7334  -10.6756      265.7413  265.5670
 3     27.8232   27.8429     -374.9000 -374.0889       10.8913   10.6756
 4     10.2128   10.6756       -0.2677    0.0000       27.5004   27.8429
 5    108.3922  108.5219      -27.9219  -27.8429      -31.4557  -31.3305
 6    -10.4295  -10.6756       31.1009   31.3305       -0.0224    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3562    0.0000       54.8137   55.1676      -48.6965  -48.9584
 2    -54.6547  -55.1676       66.7447   67.3496      -12.7049  -13.0978
 3     49.8181   48.9584      -61.5245  -61.1628      -67.2398  -67.3496
 4    -67.4628  -67.3496       -0.1983    0.0000       48.7128   48.9584
 5     73.9319   74.2606      -49.9409  -48.9584       54.9223   55.1676
 6     67.6163   67.3496      -55.0309  -55.1676       -0.0116    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -16.9539  -16.8193       21.1036   20.6086       90.5696   90.6259
 2   -151.0643 -150.7842       63.5719   63.4304       90.4204   90.6259
 3   -150.9344 -150.7842       20.7489   20.6086      132.6430  132.9941
 4    -42.3963  -42.8219      134.5689  133.9649      -48.0053  -47.9087
 5     42.5857   42.3682      -72.1121  -71.8847     -132.4158 -133.9649
 6    119.0925  119.7934      -43.6044  -42.3682       42.9550   42.8219
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.2688                 1.0225                 2.4240
  Dep-P Fr= 1--      0.7499                 0.7201                 0.7481
  Dep-U Fr= 1--      0.8571                 0.8373                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0001
 Beta2  Fr= 1--      0.6098                 0.1427                 0.3458
 AlphaG Fr= 1--     -0.0001                -0.0098                 0.0026
 Gamma2 Fr= 1--     -3.7220                 2.0211                -1.0951
 Delta2 Fr= 1--     -2.1512                 0.8842                 0.0948
 Raman1 Fr= 1--      17.075                  4.090                  9.696
 ROA1   Fr= 1--    -426.146                222.324               -102.092
 CID1   Fr= 1--     -24.957                 54.358                -10.529
 Raman2 Fr= 1--       7.317                  1.712                  4.149
 ROA2   Fr= 1--     -72.117                 41.433                -27.040
 CID2   Fr= 1--      -9.856                 24.199                 -6.517
 Raman3 Fr= 1--      14.635                  3.424                  8.299
 ROA3   Fr= 1--    -426.146                222.324               -102.092
 CID3   Fr= 1--     -29.119                 64.924                -12.302
 RC180  Fr= 1--       0.714                  0.675                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.6884                 0.9626                 1.7679
  Dep-P Fr= 1--      0.7059                 0.7423                 0.3511
  Dep-U Fr= 1--      0.8276                 0.8521                 0.5197
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0155
 Beta2  Fr= 1--      0.0949                 0.1367                 0.1531
 AlphaG Fr= 1--      0.0090                -0.0036                -0.0259
 Gamma2 Fr= 1--      0.1935                 1.3902                -1.3557
 Delta2 Fr= 1--     -0.1311                 0.6755                -0.6624
 Raman1 Fr= 1--       2.754                  3.851                  7.072
 ROA1   Fr= 1--      14.378                155.074               -151.348
 CID1   Fr= 1--       5.222                 40.273                -21.402
 Raman2 Fr= 1--       1.139                  1.640                  1.838
 ROA2   Fr= 1--       5.691                 27.960                -27.239
 CID2   Fr= 1--       4.995                 17.044                -14.823
 Raman3 Fr= 1--       2.279                  3.281                  3.675
 ROA3   Fr= 1--      14.378                155.074               -151.348
 CID3   Fr= 1--       6.309                 47.265                -41.182
 RC180  Fr= 1--       0.655                  0.704                  0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0557                 3.4200                 0.5968
  Dep-P Fr= 1--      0.7446                 0.4278                 0.7488
  Dep-U Fr= 1--      0.8536                 0.5992                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0229                 0.0000
 Beta2  Fr= 1--      0.0079                 0.3416                 0.0852
 AlphaG Fr= 1--     -0.0001                -0.0477                -0.0009
 Gamma2 Fr= 1--      0.1976                -1.4074                -0.3930
 Delta2 Fr= 1--     -0.0243                -0.3080                -0.1723
 Raman1 Fr= 1--       0.223                 13.680                  2.387
 ROA1   Fr= 1--      18.189               -144.971                -43.241
 CID1   Fr= 1--      81.619                -10.597                -18.115
 Raman2 Fr= 1--       0.095                  4.099                  1.022
 ROA2   Fr= 1--       4.937                -31.315                 -8.054
 CID2   Fr= 1--      51.904                 -7.640                 -7.880
 Raman3 Fr= 1--       0.190                  8.197                  2.044
 ROA3   Fr= 1--      18.189               -144.971                -43.241
 CID3   Fr= 1--      95.617                -17.685                -21.154
 RC180  Fr= 1--       0.707                  0.198                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.9304                 0.4781                 1.2479
  Dep-P Fr= 1--      0.4195                 0.3987                 0.7474
  Dep-U Fr= 1--      0.5911                 0.5701                 0.8554
 Alpha2 Fr= 1--      0.0133                 0.0036                 0.0001
 Beta2  Fr= 1--      0.1902                 0.0454                 0.1779
 AlphaG Fr= 1--     -0.0451                 0.0100                 0.0029
 Gamma2 Fr= 1--      0.7593                -0.0324                 1.7092
 Delta2 Fr= 1--      0.0452                 0.0955                 0.3850
 Raman1 Fr= 1--       7.722                  1.912                  4.992
 ROA1   Fr= 1--      74.340                 -0.053                176.406
 CID1   Fr= 1--       9.628                 -0.028                 35.340
 Raman2 Fr= 1--       2.282                  0.545                  2.135
 ROA2   Fr= 1--      17.862                 -1.542                 37.942
 CID2   Fr= 1--       7.827                 -2.828                 17.772
 Raman3 Fr= 1--       4.564                  1.090                  4.270
 ROA3   Fr= 1--      74.340                 -0.053                176.406
 CID3   Fr= 1--      16.288                 -0.049                 41.313
 RC180  Fr= 1--       0.182                  0.140                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     16.3124                 2.0232                 0.8286
  Dep-P Fr= 1--      0.1682                 0.7337                 0.3679
  Dep-U Fr= 1--      0.2880                 0.8464                 0.5379
 Alpha2 Fr= 1--      0.2407                 0.0006                 0.0069
 Beta2  Fr= 1--      0.7830                 0.2854                 0.0743
 AlphaG Fr= 1--      0.1441                 0.0095                 0.0535
 Gamma2 Fr= 1--      2.5783                -2.9941                -0.1979
 Delta2 Fr= 1--      0.6533                -0.8623                -0.1276
 Raman1 Fr= 1--      65.250                  8.093                  3.315
 ROA1   Fr= 1--     268.419               -315.030                -23.082
 CID1   Fr= 1--       4.114                -38.928                 -6.964
 Raman2 Fr= 1--       9.396                  3.425                  0.892
 ROA2   Fr= 1--      56.652                -64.960                 -3.728
 CID2   Fr= 1--       6.030                -18.968                 -4.182
 Raman3 Fr= 1--      18.791                  6.850                  1.783
 ROA3   Fr= 1--     268.419               -315.030                -23.082
 CID3   Fr= 1--      14.284                -45.993                -12.945
 RC180  Fr= 1--      -0.424                  0.693                  0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      2.0315                 0.6668                 1.1643
  Dep-P Fr= 1--      0.7420                 0.5660                 0.7293
  Dep-U Fr= 1--      0.8519                 0.7229                 0.8434
 Alpha2 Fr= 1--      0.0003                 0.0023                 0.0004
 Beta2  Fr= 1--      0.2884                 0.0803                 0.1637
 AlphaG Fr= 1--      0.0006                 0.0097                 0.0070
 Gamma2 Fr= 1--     -0.6411                -0.2347                -0.8088
 Delta2 Fr= 1--      0.0346                -0.0793                -0.0498
 Raman1 Fr= 1--       8.126                  2.667                  4.657
 ROA1   Fr= 1--     -60.438                -25.072                -79.242
 CID1   Fr= 1--      -7.438                 -9.401                -17.016
 Raman2 Fr= 1--       3.461                  0.964                  1.964
 ROA2   Fr= 1--     -15.663                 -4.999                -19.014
 CID2   Fr= 1--      -4.525                 -5.186                 -9.682
 Raman3 Fr= 1--       6.922                  1.928                  3.928
 ROA3   Fr= 1--     -60.438                -25.072                -79.242
 CID3   Fr= 1--      -8.731                -13.005                -20.174
 RC180  Fr= 1--       0.704                  0.446                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.1331                17.4960                 3.6229
  Dep-P Fr= 1--      0.3600                 0.3739                 0.5615
  Dep-U Fr= 1--      0.5294                 0.5443                 0.7192
 Alpha2 Fr= 1--      0.0011                 0.1419                 0.0130
 Beta2  Fr= 1--      0.0117                 1.5872                 0.4343
 AlphaG Fr= 1--      0.0047                 0.0852                 0.0665
 Gamma2 Fr= 1--     -0.2321                -0.3782                 0.4927
 Delta2 Fr= 1--      0.0099                -0.3902                 0.8936
 Raman1 Fr= 1--       0.532                 69.984                 14.492
 ROA1   Fr= 1--     -21.969                -48.791                 75.899
 CID1   Fr= 1--     -41.272                 -0.697                  5.237
 Raman2 Fr= 1--       0.141                 19.046                  5.211
 ROA2   Fr= 1--      -5.650                 -5.954                  4.676
 CID2   Fr= 1--     -40.099                 -0.313                  0.897
 Raman3 Fr= 1--       0.282                 38.092                 10.422
 ROA3   Fr= 1--     -21.969                -48.791                 75.899
 CID3   Fr= 1--     -77.959                 -1.281                  7.282
 RC180  Fr= 1--       0.059                  0.089                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      5.6273                 1.2675                 1.3898
  Dep-P Fr= 1--      0.2450                 0.6437                 0.7409
  Dep-U Fr= 1--      0.3935                 0.7832                 0.8512
 Alpha2 Fr= 1--      0.0676                 0.0024                 0.0002
 Beta2  Fr= 1--      0.3691                 0.1655                 0.1972
 AlphaG Fr= 1--     -0.1381                -0.0977                -0.0031
 Gamma2 Fr= 1--      1.4184                -0.7602                 0.2707
 Delta2 Fr= 1--     -0.5454                 0.6746                 0.3356
 Raman1 Fr= 1--      22.509                  5.070                  5.559
 ROA1   Fr= 1--     118.716                -51.391                 36.726
 CID1   Fr= 1--       5.274                -10.136                  6.607
 Raman2 Fr= 1--       4.429                  1.985                  2.366
 ROA2   Fr= 1--      38.406                -23.641                  3.811
 CID2   Fr= 1--       8.671                -11.907                  1.611
 Raman3 Fr= 1--       8.858                  3.971                  4.732
 ROA3   Fr= 1--     118.716                -51.391                 36.726
 CID3   Fr= 1--      13.402                -12.942                  7.761
 RC180  Fr= 1--      -0.213                  0.566                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.6319                 2.0103                 1.8317
  Dep-P Fr= 1--      0.7102                 0.1849                 0.2652
  Dep-U Fr= 1--      0.8305                 0.3122                 0.4192
 Alpha2 Fr= 1--      0.0004                 0.0284                 0.0208
 Beta2  Fr= 1--      0.0875                 0.1046                 0.1280
 AlphaG Fr= 1--     -0.0199                 0.0981                 0.0674
 Gamma2 Fr= 1--      1.1094                -0.4529                -1.3769
 Delta2 Fr= 1--      0.5115                -0.5586                -0.2187
 Raman1 Fr= 1--       2.528                  8.041                  7.327
 ROA1   Fr= 1--     122.868                -61.358               -139.180
 CID1   Fr= 1--      48.608                 -7.630                -18.996
 Raman2 Fr= 1--       1.050                  1.255                  1.536
 ROA2   Fr= 1--      22.533                 -6.402                -31.295
 CID2   Fr= 1--      21.466                 -5.101                -20.377
 Raman3 Fr= 1--       2.099                  2.510                  3.072
 ROA3   Fr= 1--     122.868                -61.358               -139.180
 CID3   Fr= 1--      58.525                -24.444                -45.313
 RC180  Fr= 1--       0.661                 -0.376                 -0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.3598                67.6050                 5.8667
  Dep-P Fr= 1--      0.6960                 0.0708                 0.0600
  Dep-U Fr= 1--      0.8207                 0.1323                 0.1132
 Alpha2 Fr= 1--      0.0013                 1.2704                 0.1131
 Beta2  Fr= 1--      0.1860                 1.4907                 0.1107
 AlphaG Fr= 1--     -0.0438                 0.0407                -0.1939
 Gamma2 Fr= 1--      2.9381                 1.2229                 0.0414
 Delta2 Fr= 1--     -0.2921                -0.2908                 0.4984
 Raman1 Fr= 1--       5.439                270.420                 23.467
 ROA1   Fr= 1--     272.712                108.088                 19.927
 CID1   Fr= 1--      50.138                  0.400                  0.849
 Raman2 Fr= 1--       2.232                 17.889                  1.329
 ROA2   Fr= 1--      72.851                 31.675                 -2.993
 CID2   Fr= 1--      32.639                  1.771                 -2.252
 Raman3 Fr= 1--       4.464                 35.777                  2.657
 ROA3   Fr= 1--     272.712                108.088                 19.927
 CID3   Fr= 1--      61.090                  3.021                  7.499
 RC180  Fr= 1--       0.641                 -0.735                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      6.3343                 0.7287                 1.1648
  Dep-P Fr= 1--      0.4334                 0.2729                 0.3877
  Dep-U Fr= 1--      0.6047                 0.4287                 0.5588
 Alpha2 Fr= 1--      0.0415                 0.0081                 0.0090
 Beta2  Fr= 1--      0.6384                 0.0521                 0.1085
 AlphaG Fr= 1--     -0.0761                 0.0012                -0.0184
 Gamma2 Fr= 1--      1.1727                -0.5432                 0.1589
 Delta2 Fr= 1--     -0.8687                -0.1685                 0.0848
 Raman1 Fr= 1--      25.337                  2.915                  4.659
 ROA1   Fr= 1--      84.780                -57.540                 17.970
 CID1   Fr= 1--       3.346                -19.741                  3.857
 Raman2 Fr= 1--       7.661                  0.625                  1.302
 ROA2   Fr= 1--      35.094                -11.690                  3.135
 CID2   Fr= 1--       4.581                -18.709                  2.408
 Raman3 Fr= 1--      15.321                  1.250                  2.603
 ROA3   Fr= 1--      84.780                -57.540                 17.970
 CID3   Fr= 1--       5.534                -46.046                  6.903
 RC180  Fr= 1--       0.209                 -0.143                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     23.4530                 1.9977                 1.2977
  Dep-P Fr= 1--      0.1032                 0.7498                 0.7181
  Dep-U Fr= 1--      0.1872                 0.8570                 0.8359
 Alpha2 Fr= 1--      0.4074                 0.0000                 0.0007
 Beta2  Fr= 1--      0.7316                 0.2853                 0.1808
 AlphaG Fr= 1--      0.2948                -0.0005                -0.0144
 Gamma2 Fr= 1--     -2.3646                -0.4145                -0.9185
 Delta2 Fr= 1--      0.2620                -0.1551                -0.2704
 Raman1 Fr= 1--      93.812                  7.991                  5.191
 ROA1   Fr= 1--    -218.618                -44.755                -96.831
 CID1   Fr= 1--      -2.330                 -5.601                -18.654
 Raman2 Fr= 1--       8.779                  3.424                  2.170
 ROA2   Fr= 1--     -58.846                 -8.707                -19.881
 CID2   Fr= 1--      -6.703                 -2.543                 -9.163
 Raman3 Fr= 1--      17.558                  6.848                  4.339
 ROA3   Fr= 1--    -218.618                -44.755                -96.831
 CID3   Fr= 1--     -12.451                 -6.535                -22.315
 RC180  Fr= 1--      -0.626                  0.714                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      7.6615                 1.2389                 3.6207
  Dep-P Fr= 1--      0.3424                 0.7262                 0.3096
  Dep-U Fr= 1--      0.5102                 0.8414                 0.4728
 Alpha2 Fr= 1--      0.0689                 0.0005                 0.0361
 Beta2  Fr= 1--      0.6515                 0.1737                 0.2853
 AlphaG Fr= 1--      0.1217                -0.0058                 0.2274
 Gamma2 Fr= 1--      2.0763                 0.2332                 2.1173
 Delta2 Fr= 1--     -1.2867                 0.1890                 0.7140
 Raman1 Fr= 1--      30.646                  4.956                 14.483
 ROA1   Fr= 1--     158.149                 28.434                226.113
 CID1   Fr= 1--       5.161                  5.738                 15.612
 Raman2 Fr= 1--       7.818                  2.085                  3.424
 ROA2   Fr= 1--      60.124                  4.085                 45.104
 CID2   Fr= 1--       7.691                  1.959                 13.174
 Raman3 Fr= 1--      15.635                  4.170                  6.848
 ROA3   Fr= 1--     158.149                 28.434                226.113
 CID3   Fr= 1--      10.115                  6.819                 33.021
 RC180  Fr= 1--       0.020                  0.683                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     19.4922                 2.9513                 1.9338
  Dep-P Fr= 1--      0.1420                 0.5199                 0.0825
  Dep-U Fr= 1--      0.2487                 0.6841                 0.1524
 Alpha2 Fr= 1--      0.3075                 0.0132                 0.0353
 Beta2  Fr= 1--      0.8079                 0.3365                 0.0491
 AlphaG Fr= 1--     -0.3541                 0.0424                 0.0072
 Gamma2 Fr= 1--     -2.1914                 0.7957                -0.0340
 Delta2 Fr= 1--     -0.6774                -1.6017                -0.0240
 Raman1 Fr= 1--      77.969                 11.805                  7.735
 ROA1   Fr= 1--    -232.051                 25.134                 -4.031
 CID1   Fr= 1--      -2.976                  2.129                 -0.521
 Raman2 Fr= 1--       9.695                  4.038                  0.589
 ROA2   Fr= 1--     -47.175                 31.911                 -0.623
 CID2   Fr= 1--      -4.866                  7.903                 -1.057
 Raman3 Fr= 1--      19.389                  8.076                  1.179
 ROA3   Fr= 1--    -232.051                 25.134                 -4.031
 CID3   Fr= 1--     -11.968                  3.112                 -3.420
 RC180  Fr= 1--      -0.503                  0.368                 -0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--     10.7288                 7.4660                 1.7606
  Dep-P Fr= 1--      0.6110                 0.1338                 0.5872
  Dep-U Fr= 1--      0.7586                 0.2360                 0.7399
 Alpha2 Fr= 1--      0.0274                 0.1202                 0.0054
 Beta2  Fr= 1--      1.3564                 0.2937                 0.2171
 AlphaG Fr= 1--      0.0383                -0.1458                -0.0022
 Gamma2 Fr= 1--     -1.3373                 1.1155                -1.9572
 Delta2 Fr= 1--      0.2192                 0.6794                -2.2499
 Raman1 Fr= 1--      42.915                 29.864                  7.043
 ROA1   Fr= 1--    -121.364                128.834               -259.892
 CID1   Fr= 1--      -2.828                  4.314                -36.903
 Raman2 Fr= 1--      16.277                  3.524                  2.605
 ROA2   Fr= 1--     -33.848                 21.338                -28.974
 CID2   Fr= 1--      -2.080                  6.054                -11.121
 Raman3 Fr= 1--      32.554                  7.049                  5.211
 ROA3   Fr= 1--    -121.364                128.834               -259.892
 CID3   Fr= 1--      -3.728                 18.277                -49.876
 RC180  Fr= 1--       0.517                 -0.528                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.7467                10.9652                18.3597
  Dep-P Fr= 1--      0.7485                 0.0920                 0.4658
  Dep-U Fr= 1--      0.8562                 0.1684                 0.6356
 Alpha2 Fr= 1--      0.0000                 0.1958                 0.1055
 Beta2  Fr= 1--      0.1065                 0.3078                 1.9448
 AlphaG Fr= 1--     -0.0041                -0.0640                -0.0060
 Gamma2 Fr= 1--     -0.1592                -0.3383                -6.3674
 Delta2 Fr= 1--     -0.0022                -0.1176                -0.6635
 Raman1 Fr= 1--       2.987                 43.861                 73.439
 ROA1   Fr= 1--     -15.351                -36.238               -632.499
 CID1   Fr= 1--      -5.140                 -0.826                 -8.613
 Raman2 Fr= 1--       1.279                  3.694                 23.338
 ROA2   Fr= 1--      -3.802                 -7.177               -147.510
 CID2   Fr= 1--      -2.974                 -1.943                 -6.321
 Raman3 Fr= 1--       2.557                  7.388                 46.676
 ROA3   Fr= 1--     -15.351                -36.238               -632.499
 CID3   Fr= 1--      -6.003                 -4.905                -13.551
 RC180  Fr= 1--       0.712                 -0.663                  0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     21.9608                68.0580                 2.6420
  Dep-P Fr= 1--      0.7433                 0.2500                 0.3086
  Dep-U Fr= 1--      0.8527                 0.4000                 0.4716
 Alpha2 Fr= 1--      0.0025                 0.8066                 0.0264
 Beta2  Fr= 1--      3.1212                 4.5373                 0.2077
 AlphaG Fr= 1--      0.0148                 0.1254                 0.0482
 Gamma2 Fr= 1--      0.6874                15.5556                 2.3407
 Delta2 Fr= 1--     -1.1599                -0.1101                -0.1637
 Raman1 Fr= 1--      87.843                272.232                 10.568
 ROA1   Fr= 1--      28.874               1489.814                219.467
 CID1   Fr= 1--       0.329                  5.473                 20.767
 Raman2 Fr= 1--      37.454                 54.447                  2.492
 ROA2   Fr= 1--      25.777                374.216                 57.485
 CID2   Fr= 1--       0.688                  6.873                 23.069
 Raman3 Fr= 1--      74.908                108.895                  4.984
 ROA3   Fr= 1--      28.874               1489.814                219.467
 CID3   Fr= 1--       0.385                 13.681                 44.036
 RC180  Fr= 1--       0.705                 -0.200                 -0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     46.8901                 5.6724                11.0838
  Dep-P Fr= 1--      0.2381                 0.2109                 0.5428
  Dep-U Fr= 1--      0.3846                 0.3483                 0.7037
 Alpha2 Fr= 1--      0.5744                 0.0748                 0.0441
 Beta2  Fr= 1--      3.0060                 0.3293                 1.2999
 AlphaG Fr= 1--      0.3533                -0.0689                 0.0668
 Gamma2 Fr= 1--      1.1796                -4.6613                 2.7662
 Delta2 Fr= 1--     -1.6065                -0.1042                -3.1464
 Raman1 Fr= 1--     187.561                 22.690                 44.335
 ROA1   Fr= 1--      61.835               -450.816                164.865
 CID1   Fr= 1--       0.330                -19.869                  3.719
 Raman2 Fr= 1--      36.073                  3.952                 15.599
 ROA2   Fr= 1--      41.163               -111.036                 91.559
 CID2   Fr= 1--       1.141                -28.099                  5.869
 Raman3 Fr= 1--      72.145                  7.903                 31.198
 ROA3   Fr= 1--      61.835               -450.816                164.865
 CID3   Fr= 1--       0.857                -57.042                  5.284
 RC180  Fr= 1--      -0.231                 -0.303                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     33.2342                 2.8962                 3.4498
  Dep-P Fr= 1--      0.1937                 0.2738                 0.5459
  Dep-U Fr= 1--      0.3245                 0.4298                 0.7063
 Alpha2 Fr= 1--      0.4589                 0.0321                 0.0135
 Beta2  Fr= 1--      1.7976                 0.2075                 0.4061
 AlphaG Fr= 1--      0.1509                 0.0298                 0.0363
 Gamma2 Fr= 1--      1.5423                -0.3736                -2.4484
 Delta2 Fr= 1--     -0.7440                 0.3545                -4.1824
 Raman1 Fr= 1--     132.937                 11.585                 13.799
 ROA1   Fr= 1--     124.253                -24.522               -368.886
 CID1   Fr= 1--       0.935                 -2.117                -26.732
 Raman2 Fr= 1--      21.571                  2.490                  4.873
 ROA2   Fr= 1--      42.967                -11.803                -25.302
 CID2   Fr= 1--       1.992                 -4.740                 -5.192
 Raman3 Fr= 1--      43.143                  4.980                  9.746
 ROA3   Fr= 1--     124.253                -24.522               -368.886
 CID3   Fr= 1--       2.880                 -4.924                -37.850
 RC180  Fr= 1--      -0.351                 -0.140                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     98.0699               111.0375                19.5135
  Dep-P Fr= 1--      0.1962                 0.2018                 0.2406
  Dep-U Fr= 1--      0.3280                 0.3358                 0.3879
 Alpha2 Fr= 1--      1.3454                 1.5007                 0.2374
 Beta2  Fr= 1--      5.3613                 6.2151                 1.2617
 AlphaG Fr= 1--     -0.5496                 0.3825                 0.1479
 Gamma2 Fr= 1--     -0.5734                 0.3902                 2.5844
 Delta2 Fr= 1--      9.2064                 2.8215                 1.9521
 Raman1 Fr= 1--     392.280                444.150                 78.054
 ROA1   Fr= 1--     239.559                127.750                310.570
 CID1   Fr= 1--       0.611                  0.288                  3.979
 Raman2 Fr= 1--      64.336                 74.581                 15.140
 ROA2   Fr= 1--     -87.412                -13.206                 46.409
 CID2   Fr= 1--      -1.359                 -0.177                  3.065
 Raman3 Fr= 1--     128.671                149.162                 30.280
 ROA3   Fr= 1--     239.559                127.750                310.570
 CID3   Fr= 1--       1.862                  0.856                 10.257
 RC180  Fr= 1--      -0.344                 -0.328                 -0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    424.1197               242.5799                 9.9945
  Dep-P Fr= 1--      0.2007                 0.2595                 0.4272
  Dep-U Fr= 1--      0.3344                 0.4121                 0.5986
 Alpha2 Fr= 1--      5.7482                 2.7989                 0.0670
 Beta2  Fr= 1--     23.6357                16.6611                 0.9972
 AlphaG Fr= 1--      2.9548                -0.1382                 0.0408
 Gamma2 Fr= 1--      1.2965                 7.5045                -0.7051
 Delta2 Fr= 1--     -7.6653                -1.0698                 0.1529
 Raman1 Fr= 1--    1696.479                970.319                 39.978
 ROA1   Fr= 1--    -120.828                686.201                -62.792
 CID1   Fr= 1--      -0.071                  0.707                 -1.571
 Raman2 Fr= 1--     283.629                199.933                 11.966
 ROA2   Fr= 1--      92.438                188.667                -18.145
 CID2   Fr= 1--       0.326                  0.944                 -1.516
 Raman3 Fr= 1--     567.258                399.866                 23.933
 ROA3   Fr= 1--    -120.828                686.201                -62.792
 CID3   Fr= 1--      -0.213                  1.716                 -2.624
 RC180  Fr= 1--      -0.331                 -0.176                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     10.0177                 3.6627                15.2834
  Dep-P Fr= 1--      0.7475                 0.7478                 0.4493
  Dep-U Fr= 1--      0.8555                 0.8557                 0.6200
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0940
 Beta2  Fr= 1--      1.4284                 0.5224                 1.5793
 AlphaG Fr= 1--      0.0089                 0.0045                -0.0108
 Gamma2 Fr= 1--     -0.6866                 0.9260                 0.3868
 Delta2 Fr= 1--      0.0366                -0.8605                 0.0142
 Raman1 Fr= 1--      40.071                 14.651                 61.133
 ROA1   Fr= 1--     -64.738                 61.363                 37.590
 CID1   Fr= 1--      -1.616                  4.188                  0.615
 Raman2 Fr= 1--      17.141                  6.269                 18.952
 ROA2   Fr= 1--     -16.771                 29.109                  9.170
 CID2   Fr= 1--      -0.978                  4.644                  0.484
 Raman3 Fr= 1--      34.281                 12.537                 37.903
 ROA3   Fr= 1--     -64.738                 61.363                 37.590
 CID3   Fr= 1--      -1.888                  4.895                  0.992
 RC180  Fr= 1--       0.711                  0.711                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--      8.6652               121.8458                22.5477
  Dep-P Fr= 1--      0.4177                 0.2675                 0.1718
  Dep-U Fr= 1--      0.5893                 0.4220                 0.2933
 Alpha2 Fr= 1--      0.0602                 1.3745                 0.3296
 Beta2  Fr= 1--      0.8510                 8.5707                 1.1021
 AlphaG Fr= 1--      0.1718                 0.1941                 0.4234
 Gamma2 Fr= 1--      0.6425                 2.7455                 2.6102
 Delta2 Fr= 1--      1.6798                -0.0851                -0.4290
 Raman1 Fr= 1--      34.661                487.383                 90.191
 ROA1   Fr= 1--     115.432                260.850                236.855
 CID1   Fr= 1--       3.330                  0.535                  2.626
 Raman2 Fr= 1--      10.213                102.849                 13.225
 ROA2   Fr= 1--       1.982                 66.574                 66.077
 CID2   Fr= 1--       0.194                  0.647                  4.997
 Raman3 Fr= 1--      20.425                205.697                 26.449
 ROA3   Fr= 1--     115.432                260.850                236.855
 CID3   Fr= 1--       5.651                  1.268                  8.955
 RC180  Fr= 1--       0.179                 -0.156                 -0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     76.2538                 4.7181               280.4796
  Dep-P Fr= 1--      0.5154                 0.6696                 0.3880
  Dep-U Fr= 1--      0.6803                 0.8021                 0.5591
 Alpha2 Fr= 1--      0.3497                 0.0067                 2.1671
 Beta2  Fr= 1--      8.6454                 0.6307                26.1369
 AlphaG Fr= 1--      0.5949                -0.0316                 1.0964
 Gamma2 Fr= 1--     -1.5815                -1.5767                 6.5395
 Delta2 Fr= 1--     -4.1875                -4.6060                -1.7506
 Raman1 Fr= 1--     305.015                 18.872               1121.918
 ROA1   Fr= 1--    -285.827               -298.759                571.774
 CID1   Fr= 1--      -0.937                -15.830                  0.510
 Raman2 Fr= 1--     103.744                  7.569                313.643
 ROA2   Fr= 1--      -4.457                 -0.993                170.953
 CID2   Fr= 1--      -0.043                 -0.131                  0.545
 Raman3 Fr= 1--     207.489                 15.137                627.285
 ROA3   Fr= 1--    -285.827               -298.759                571.774
 CID3   Fr= 1--      -1.378                -19.736                  0.912
 RC180  Fr= 1--       0.361                  0.604                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     17.6975               239.4206               183.8296
  Dep-P Fr= 1--      0.3176                 0.0400                 0.0182
  Dep-U Fr= 1--      0.4821                 0.0769                 0.0358
 Alpha2 Fr= 1--      0.1721                 4.8431                 3.9144
 Beta2  Fr= 1--      1.4220                 3.0689                 1.0972
 AlphaG Fr= 1--      0.3279                 0.4989                 0.2054
 Gamma2 Fr= 1--      1.5909                 1.3443                 1.2841
 Delta2 Fr= 1--      0.3755                -0.7359                 0.4548
 Raman1 Fr= 1--      70.790                957.683                735.319
 ROA1   Fr= 1--     164.743                105.506                137.825
 CID1   Fr= 1--       2.327                  0.110                  0.187
 Raman2 Fr= 1--      17.064                 36.827                 13.166
 ROA2   Fr= 1--      35.177                 38.151                 27.180
 CID2   Fr= 1--       2.062                  1.036                  2.064
 Raman3 Fr= 1--      34.127                 73.653                 26.332
 ROA3   Fr= 1--     164.743                105.506                137.825
 CID3   Fr= 1--       4.827                  1.432                  5.234
 RC180  Fr= 1--      -0.036                 -0.846                 -0.928
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     79.7430                72.2079                48.9497
  Dep-P Fr= 1--      0.3076                 0.7500                 0.3478
  Dep-U Fr= 1--      0.4704                 0.8571                 0.5161
 Alpha2 Fr= 1--      0.7995                 0.0001                 0.4328
 Beta2  Fr= 1--      6.2522                10.3151                 4.2105
 AlphaG Fr= 1--      1.6520                 0.0271                -1.4213
 Gamma2 Fr= 1--     -3.5621                 2.7880                 2.5507
 Delta2 Fr= 1--      1.1169                 2.0523                 0.0390
 Raman1 Fr= 1--     318.972                288.832                195.799
 ROA1   Fr= 1--    -306.226                333.320                246.115
 CID1   Fr= 1--      -0.960                  1.154                  1.257
 Raman2 Fr= 1--      75.027                123.781                 50.527
 ROA2   Fr= 1--     -94.427                 50.493                 60.904
 CID2   Fr= 1--      -1.259                  0.408                  1.205
 Raman3 Fr= 1--     150.054                247.562                101.053
 ROA3   Fr= 1--    -306.226                333.320                246.115
 CID3   Fr= 1--      -2.041                  1.346                  2.435
 RC180  Fr= 1--      -0.059                  0.714                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    120.4704               179.3414                69.0238
  Dep-P Fr= 1--      0.5409                 0.4274                 0.6256
  Dep-U Fr= 1--      0.7021                 0.5989                 0.7697
 Alpha2 Fr= 1--      0.4844                 1.2010                 0.1564
 Beta2  Fr= 1--     14.0963                17.8998                 8.8548
 AlphaG Fr= 1--      0.4307                -0.1876                -0.0209
 Gamma2 Fr= 1--     -5.0619                -1.0419                -0.1851
 Delta2 Fr= 1--      4.8288                -1.0171                 1.9513
 Raman1 Fr= 1--     481.882                717.366                276.095
 ROA1   Fr= 1--    -331.426               -132.571                 44.671
 CID1   Fr= 1--      -0.688                 -0.185                  0.162
 Raman2 Fr= 1--     169.155                214.798                106.258
 ROA2   Fr= 1--    -160.117                -16.869                -20.053
 CID2   Fr= 1--      -0.947                 -0.079                 -0.189
 Raman3 Fr= 1--     338.311                429.595                212.516
 ROA3   Fr= 1--    -331.426               -132.571                 44.671
 CID3   Fr= 1--      -0.980                 -0.309                  0.210
 RC180  Fr= 1--       0.404                  0.198                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     37.5773                59.7995               135.2792
  Dep-P Fr= 1--      0.4686                 0.3956                 0.1849
  Dep-U Fr= 1--      0.6382                 0.5669                 0.3121
 Alpha2 Fr= 1--      0.2133                 0.4500                 1.9115
 Beta2  Fr= 1--      3.9970                 5.6501                 7.0372
 AlphaG Fr= 1--      0.0599                 0.1016                -0.0104
 Gamma2 Fr= 1--      0.3929                 0.7307                -1.1947
 Delta2 Fr= 1--     -0.5804                 1.2480                -1.3148
 Raman1 Fr= 1--     150.309                239.198                541.117
 ROA1   Fr= 1--      19.148                110.082               -156.765
 CID1   Fr= 1--       0.127                  0.460                 -0.290
 Raman2 Fr= 1--      47.963                 67.801                 84.446
 ROA2   Fr= 1--      14.074                  7.553                -18.155
 CID2   Fr= 1--       0.293                  0.111                 -0.215
 Raman3 Fr= 1--      95.927                135.602                168.892
 ROA3   Fr= 1--      19.148                110.082               -156.765
 CID3   Fr= 1--       0.200                  0.812                 -0.928
 RC180  Fr= 1--       0.276                  0.134                 -0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    158.1488               131.5560               191.3424
  Dep-P Fr= 1--      0.2400                 0.2382                 0.2741
  Dep-U Fr= 1--      0.3871                 0.3848                 0.4302
 Alpha2 Fr= 1--      1.9271                 1.6110                 2.1178
 Beta2  Fr= 1--     10.2045                 8.4371                13.7205
 AlphaG Fr= 1--     -0.2085                 0.1440                 4.0178
 Gamma2 Fr= 1--     -2.6554                 1.6676                43.6062
 Delta2 Fr= 1--     -0.7241                 0.7014                 6.1999
 Raman1 Fr= 1--     632.595                526.224                765.370
 ROA1   Fr= 1--    -278.091                182.535               4384.589
 CID1   Fr= 1--      -0.440                  0.347                  5.729
 Raman2 Fr= 1--     122.454                101.245                164.645
 ROA2   Fr= 1--     -57.938                 34.411                996.948
 CID2   Fr= 1--      -0.473                  0.340                  6.055
 Raman3 Fr= 1--     244.908                202.489                329.291
 ROA3   Fr= 1--    -278.091                182.535               4384.589
 CID3   Fr= 1--      -1.135                  0.901                 13.315
 RC180  Fr= 1--      -0.226                 -0.230                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307267D+03  0.139214D+02 -0.156652D+02
      2   0.139214D+02  0.174484D+03 -0.533779D+01
      3  -0.156652D+02 -0.533779D+01  0.120223D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.994546D+01 -0.293628D+02  0.124575D+02
      2   0.783212D+02  0.164944D+02  0.116831D+02
      3   0.427102D+02  0.556664D+02 -0.206359D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332889D+03 -0.423059D+02  0.890850D+02
      2   0.158035D+03  0.211814D+02 -0.439091D+02
      3   0.174854D+03  0.211245D+02 -0.451759D+02
      4  -0.545353D+02 -0.119110D+03  0.395524D+02
      5   0.201124D+02  0.435484D+02  0.316746D+02
      6   0.116020D+02 -0.705135D+02 -0.339267D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.398965D+02  0.897936D+01 -0.374351D+01 -0.453195D+02 -0.605308D+01
      2   0.897936D+01  0.504800D+01 -0.175475D+01 -0.605308D+01 -0.529129D+01
      3  -0.374351D+01 -0.175475D+01  0.104185D+00  0.506494D+01  0.102832D+01
                 6             7             8             9            10 
      1   0.506494D+01  0.928469D+00 -0.425212D+00  0.123676D+01 -0.324136D+02
      2   0.102832D+01 -0.425212D+00 -0.209333D+00 -0.934281D+00 -0.761315D+01
      3  -0.372214D+00  0.123676D+01 -0.934281D+00  0.881524D-01  0.293420D+01
                11            12            13            14            15 
      1  -0.761315D+01  0.293420D+01  0.496143D+02  0.726340D+01 -0.572960D+01
      2  -0.953563D+00  0.544667D+00  0.726340D+01  0.708987D+01 -0.170386D+01
      3   0.544667D+00 -0.222595D+00 -0.572960D+01 -0.170386D+01  0.297532D+00
                16            17            18            19            20 
      1  -0.111892D+01  0.270911D+00 -0.455339D+00 -0.468009D+02 -0.102607D+02
      2   0.270911D+00 -0.331105D+00  0.113663D+01 -0.102607D+02 -0.987896D+01
      3  -0.455339D+00  0.113663D+01 -0.232578D+00  0.366130D+01  0.172644D+01
                21            22            23            24            25 
      1   0.366130D+01 -0.182460D+02 -0.199551D+01  0.148764D+00  0.762121D+01
      2   0.172644D+01 -0.199551D+01 -0.621946D+01  0.540242D+00  0.242660D+00
      3  -0.568941D+00  0.148764D+00  0.540242D+00 -0.210238D+01  0.318908D+00
                26            27            28            29            30 
      1   0.242660D+00  0.318908D+00  0.499547D+02  0.519464D+01 -0.806425D+00
      2   0.107159D+01 -0.392514D+01  0.519464D+01  0.464266D+01 -0.664621D+00
      3  -0.392514D+01  0.650923D+00 -0.806425D+00 -0.664621D+00  0.212722D+01
                31            32            33            34            35 
      1   0.723466D+01  0.210272D+01  0.391452D-01 -0.448368D+01 -0.175760D+00
      2   0.210272D+01  0.164423D+02 -0.281753D+01 -0.175760D+00 -0.290436D+01
      3   0.391452D-01 -0.281753D+01  0.305521D+00  0.619445D+01  0.127129D+01
                36            37            38            39            40 
      1   0.619445D+01  0.857453D+01 -0.174962D+01 -0.286023D+00  0.785123D+01
      2   0.127129D+01 -0.174962D+01  0.138137D+02 -0.140319D+01  0.167857D+01
      3  -0.152128D+01 -0.286023D+00 -0.140319D+01  0.244618D+01  0.431523D+00
                41            42            43            44            45 
      1   0.167857D+01  0.431523D+00 -0.957870D+00  0.107744D+01  0.475750D+01
      2  -0.912048D+01  0.157252D+01  0.107744D+01 -0.485733D+00  0.212846D+01
      3   0.157252D+01  0.686831D+00  0.475750D+01  0.212846D+01 -0.245283D+01
                46            47            48            49            50 
      1  -0.140783D+02  0.199485D+01  0.169073D+01  0.569003D+00  0.268408D+01
      2   0.199485D+01 -0.980583D+01  0.203881D+01  0.268408D+01  0.851113D+00
      3   0.169073D+01  0.203881D+01 -0.227960D+01 -0.168304D+00  0.373717D+00
                51            52            53            54            55 
      1  -0.168304D+00  0.143716D+01 -0.283851D-01 -0.146630D+01  0.494350D+01
      2   0.373717D+00 -0.283851D-01  0.211995D+01  0.431196D+01 -0.298286D+01
      3   0.175327D+01 -0.146630D+01  0.431196D+01 -0.958046D+00 -0.295795D+00
                56            57            58            59            60 
      1  -0.298286D+01 -0.295795D+00 -0.219112D+01 -0.392218D+01  0.264287D+00
      2   0.581733D+01 -0.291015D+00 -0.392218D+01 -0.286315D+01  0.944147D-01
      3  -0.291015D+00  0.232171D+01  0.264287D+00  0.944147D-01 -0.168037D+01
                61            62            63            64            65 
      1  -0.350995D+00  0.322882D+00  0.415248D+00  0.675820D+00 -0.192649D+01
      2   0.322882D+00 -0.139520D+01 -0.426408D+01 -0.192649D+01  0.839485D+00
      3   0.415248D+00 -0.426408D+01  0.502486D+00 -0.219374D-01  0.197911D+00
                66            67            68            69            70 
      1  -0.219374D-01 -0.275525D+01  0.285509D+01  0.917576D-01 -0.241407D+00
      2   0.197911D+00  0.285509D+01 -0.643195D+01 -0.329100D-01  0.120223D+00
      3   0.287498D-01  0.917576D-01 -0.329100D-01 -0.623776D+00 -0.886845D-01
                71            72            73            74            75 
      1   0.120223D+00 -0.886845D-01  0.610338D+01  0.335362D+01 -0.109545D+01
      2   0.457913D+00 -0.212042D-01  0.335362D+01  0.330280D+01 -0.779383D+00
      3  -0.212042D-01 -0.100009D-01 -0.109545D+01 -0.779383D+00  0.668011D+00
                76            77            78            79            80 
      1   0.395216D+01  0.436119D+01 -0.983701D+00 -0.138575D+01 -0.909239D+00
      2   0.436119D+01  0.522723D+01 -0.108631D+01 -0.909239D+00 -0.859104D+00
      3  -0.983701D+00 -0.108631D+01  0.899746D+00 -0.229435D+00  0.507993D+00
                81            82            83            84            85 
      1  -0.229435D+00 -0.100975D+01  0.154603D+01 -0.767425D-01  0.673380D+00
      2   0.507993D+00  0.154603D+01 -0.229437D+01  0.102748D+00 -0.140064D+01
      3  -0.143161D+00 -0.767425D-01  0.102748D+00 -0.164878D+00  0.225854D+00
                86            87            88            89            90 
      1  -0.140064D+01  0.225854D+00 -0.144302D-01 -0.623998D-01  0.153902D+00
      2   0.107119D+02 -0.108183D+01 -0.623998D-01 -0.101327D+01  0.169146D+00
      3  -0.108183D+01  0.957631D+00  0.153902D+00  0.169146D+00 -0.134346D+00
                91            92            93            94            95 
      1  -0.216487D+02 -0.305985D+01 -0.188310D+01 -0.112530D+01 -0.218483D+01
      2  -0.305985D+01 -0.870144D+00 -0.318979D+00 -0.218483D+01  0.148967D+01
      3  -0.188310D+01 -0.318979D+00 -0.297153D+01  0.370999D+00  0.325285D+01
                96            97            98            99           100 
      1   0.370999D+00 -0.762145D+01 -0.719440D+00 -0.598862D+01 -0.724458D+01
      2   0.325285D+01 -0.719440D+00  0.223241D+01 -0.172972D+01  0.144182D+01
      3  -0.534833D+00 -0.598862D+01 -0.172972D+01 -0.700454D+00  0.174877D+01
               101           102           103           104           105 
      1   0.144182D+01  0.174877D+01 -0.178470D+01  0.234461D+01  0.651948D+00
      2   0.179488D+01  0.754428D+00  0.234461D+01 -0.172623D+01 -0.339013D+01
      3   0.754428D+00  0.351146D+01  0.651948D+00 -0.339013D+01  0.104175D+01
               106           107           108           109           110 
      1   0.197979D+01  0.854424D+00  0.243220D+01 -0.381362D+01 -0.118122D+01
      2   0.854424D+00 -0.255965D+01  0.239112D+01 -0.118122D+01 -0.358076D+00
      3   0.243220D+01  0.239112D+01  0.319476D+01 -0.290267D+00 -0.411284D+00
               111           112           113           114           115 
      1  -0.290267D+00 -0.140923D+01  0.681427D+00  0.156120D-01  0.128352D+02
      2  -0.411284D+00  0.681427D+00 -0.176642D+00 -0.168070D+00  0.495052D+00
      3   0.124880D+01  0.156120D-01 -0.168070D+00  0.545624D+00  0.556998D+01
               116           117           118           119           120 
      1   0.495052D+00  0.556998D+01  0.383361D+01  0.177804D+01 -0.155259D+01
      2   0.516796D+00  0.415403D+00  0.177804D+01  0.100569D+01 -0.519930D+00
      3   0.415403D+00  0.491634D+00 -0.155259D+01 -0.519930D+00  0.165303D+01
               121           122           123           124           125 
      1   0.570594D+01  0.171469D+01 -0.112793D+01 -0.230009D+01 -0.532110D+00
      2   0.171469D+01  0.243825D+01 -0.194704D+01 -0.532110D+00 -0.192667D+01
      3  -0.112793D+01 -0.194704D+01  0.179342D+01  0.249417D+01  0.160618D+01
               126           127           128           129           130 
      1   0.249417D+01 -0.738755D+00 -0.224951D+00 -0.117649D+01  0.363270D+00
      2   0.160618D+01 -0.224951D+00 -0.105333D+01 -0.955802D+00 -0.298507D+00
      3  -0.335310D+01 -0.117649D+01 -0.955802D+00 -0.259815D+01 -0.118393D+00
               131           132           133           134           135 
      1  -0.298507D+00 -0.118393D+00 -0.171231D+01  0.283106D+00 -0.422880D+00
      2  -0.107001D+01 -0.946463D+00  0.283106D+00 -0.186851D+01 -0.248396D+01
      3  -0.946463D+00 -0.131627D+01 -0.422880D+00 -0.248396D+01 -0.722764D+01
               136           137           138           139           140 
      1   0.108620D+00 -0.472910D+00  0.338876D+00 -0.130895D+01  0.369522D+00
      2  -0.472910D+00 -0.977363D+00  0.726586D-01  0.369522D+00 -0.428738D+01
      3   0.338876D+00  0.726586D-01 -0.764811D+00  0.604533D-01  0.150544D+01
               141           142           143           144           145 
      1   0.604533D-01  0.122136D+01 -0.653702D+00 -0.284501D+00  0.122360D+02
      2   0.150544D+01 -0.653702D+00  0.290272D+01 -0.149320D+01 -0.316591D+01
      3  -0.165853D+01 -0.284501D+00 -0.149320D+01  0.170008D+01 -0.224370D+01
               146           147           148           149           150 
      1  -0.316591D+01 -0.224370D+01 -0.168653D+01  0.128211D+01  0.154810D+00
      2   0.188139D+01  0.767365D+00  0.128211D+01 -0.507446D+00  0.264969D-02
      3   0.767365D+00  0.152288D+01  0.154810D+00  0.264969D-02 -0.136774D+00
               151           152           153           154           155 
      1  -0.139691D+01  0.239078D+00  0.122133D+01  0.193118D+02  0.269884D+01
      2   0.239078D+00  0.482472D-01 -0.543385D+00  0.269884D+01  0.211987D+01
      3   0.122133D+01 -0.543385D+00 -0.941983D+00  0.159801D+01  0.671285D+00
               156           157           158           159           160 
      1   0.159801D+01  0.358121D+01  0.423690D+01  0.263110D+00  0.230515D+01
      2   0.671285D+00  0.423690D+01  0.199254D+01  0.486585D+00  0.545527D+00
      3   0.282157D+01  0.263110D+00  0.486585D+00  0.309994D+00  0.286737D+01
               161           162           163           164           165 
      1   0.545527D+00  0.286737D+01  0.133078D+02  0.448358D+00  0.493124D+01
      2  -0.255275D+00  0.652615D+00  0.448358D+00 -0.588284D+00 -0.250980D+00
      3   0.652615D+00  0.461076D+00  0.493124D+01 -0.250980D+00  0.941097D+00
               166           167           168           169           170 
      1   0.231768D+01 -0.382042D+00  0.416583D+00  0.106587D+01 -0.473093D+00
      2  -0.382042D+00 -0.321750D+00  0.122840D+01 -0.473093D+00  0.579601D+00
      3   0.416583D+00  0.122840D+01 -0.723744D-01  0.364952D+00  0.170024D+00
               171           172           173           174           175 
      1   0.364952D+00 -0.112420D+02  0.687019D-01 -0.288932D+01 -0.140091D+01
      2   0.170024D+00  0.687019D-01 -0.217054D-01  0.166190D+00  0.322850D+00
      3   0.675721D+01 -0.288932D+01  0.166190D+00 -0.307307D+01 -0.421779D+00
               176           177           178           179           180 
      1   0.322850D+00 -0.421779D+00 -0.663778D+01  0.114662D+00 -0.278084D+01
      2  -0.129879D+00  0.667542D+00  0.114662D+00  0.121884D+01 -0.138902D+00
      3   0.667542D+00 -0.580248D+00 -0.278084D+01 -0.138902D+00 -0.283422D-01
               181           182           183           184           185 
      1  -0.618346D+01  0.102721D+01 -0.146485D+00 -0.143953D+02 -0.292880D+01
      2   0.102721D+01 -0.105679D+02  0.298186D-02 -0.292880D+01  0.523757D+01
      3  -0.146485D+00  0.298186D-02 -0.246850D+01  0.120533D+01 -0.361226D+00
               186           187           188           189           190 
      1   0.120533D+01  0.115629D+01 -0.613753D+00 -0.432067D+01 -0.379322D+02
      2  -0.361226D+00 -0.613753D+00  0.128948D+00 -0.268189D+01 -0.559725D+01
      3  -0.149761D+01 -0.432067D+01 -0.268189D+01  0.191620D+01  0.299829D+01
               191           192           193           194           195 
      1  -0.559725D+01  0.299829D+01 -0.107455D+01 -0.215004D+01 -0.733193D+00
      2  -0.951233D+01  0.101287D+01 -0.215004D+01 -0.125723D+02  0.921459D+00
      3   0.101287D+01 -0.402467D+01 -0.733193D+00  0.921459D+00  0.514298D+00
               196           197           198           199           200 
      1   0.290063D+01  0.653680D-01 -0.733973D+01  0.369812D+02  0.986293D+01
      2   0.653680D-01  0.233829D+01 -0.823623D+00  0.986293D+01  0.762455D+01
      3  -0.733973D+01 -0.823623D+00  0.196971D+01 -0.407800D+01 -0.747798D+00
               201           202           203           204           205 
      1  -0.407800D+01  0.165504D+02  0.349534D+01 -0.176351D+01 -0.630315D+01
      2  -0.747798D+00  0.349534D+01  0.621722D+01 -0.127693D+00 -0.100958D+01
      3   0.615812D+00 -0.176351D+01 -0.127693D+00  0.255647D+01  0.220630D+00
               206           207           208           209           210 
      1  -0.100958D+01  0.220630D+00  0.940884D+01  0.412526D+01 -0.152729D+01
      2  -0.569858D+00  0.482205D+01  0.412526D+01  0.368015D+01 -0.777218D+00
      3   0.482205D+01 -0.130584D+01 -0.152729D+01 -0.777218D+00  0.409349D+00
               211           212           213           214           215 
      1  -0.184421D+01 -0.326798D+01  0.413549D+00 -0.756504D+00 -0.450213D-01
      2  -0.326798D+01  0.128873D+01  0.192907D+00 -0.450213D-01 -0.418642D+00
      3   0.413549D+00  0.192907D+00 -0.113151D+01  0.124142D+00  0.751532D+00
               216           217           218           219           220 
      1   0.124142D+00 -0.764783D+00 -0.463176D+01  0.915702D+00 -0.446868D+01
      2   0.751532D+00 -0.463176D+01 -0.872167D+00  0.122522D+01  0.259752D+01
      3  -0.630749D-01  0.915702D+00  0.122522D+01 -0.424612D-02  0.127863D+01
               221           222           223           224           225 
      1   0.259752D+01  0.127863D+01  0.111235D+01  0.108756D+01  0.201904D+01
      2   0.135383D+01  0.750841D+00  0.108756D+01  0.943597D+00  0.431505D+01
      3   0.750841D+00  0.579377D+01  0.201904D+01  0.431505D+01 -0.205398D+01
               226           227           228           229           230 
      1   0.553162D+00 -0.145874D+01  0.786628D-01 -0.414285D+00  0.830168D+00
      2  -0.145874D+01  0.205065D+01 -0.808256D-02  0.830168D+00 -0.965434D+01
      3   0.786628D-01 -0.808256D-02  0.119276D+00 -0.125126D+00  0.716153D+00
               231           232           233           234           235 
      1  -0.125126D+00 -0.197252D-01  0.647463D-01 -0.102665D+00 -0.718490D+01
      2   0.716153D+00  0.647463D-01  0.831207D+00 -0.800195D-01 -0.303519D+01
      3  -0.843320D+00 -0.102665D+00 -0.800195D-01  0.948928D-01  0.114409D+01
               236           237           238           239           240 
      1  -0.303519D+01  0.114409D+01 -0.431663D+01 -0.434031D+01  0.903783D+00
      2  -0.263875D+01  0.563531D+00 -0.434031D+01 -0.468518D+01  0.898723D+00
      3   0.563531D+00 -0.427983D+00  0.903783D+00  0.898723D+00 -0.714725D+00
               241           242           243           244           245 
      1   0.143799D+01  0.859317D+00  0.288117D+00 -0.124093D+01  0.249608D+01
      2   0.859317D+00  0.795037D+00 -0.189679D+00  0.249608D+01 -0.212066D+01
      3   0.288117D+00 -0.189679D+00  0.159724D-01 -0.198444D+00 -0.672265D-01
               246           247           248           249           250 
      1  -0.198444D+00  0.304113D+01 -0.364025D+01  0.177743D+00 -0.257022D+00
      2  -0.672265D-01 -0.364025D+01  0.835529D+01 -0.458843D+00  0.911660D-01
      3  -0.284344D+00  0.177743D+00 -0.458843D+00  0.884269D+00 -0.158196D+00
               251           252           253           254           255 
      1   0.911660D-01 -0.158196D+00  0.100254D+01  0.158797D+00  0.653902D+00
      2  -0.692210D+00  0.431202D-01  0.158797D+00  0.393084D+00 -0.854617D-01
      3   0.431202D-01 -0.404681D-01  0.653902D+00 -0.854617D-01  0.513289D+00
               256           257           258           259           260 
      1  -0.136714D+01 -0.147665D+01  0.112579D+01  0.382633D+01  0.119109D+01
      2  -0.147665D+01 -0.204408D+01  0.184399D+01  0.119109D+01  0.183227D+01
      3   0.112579D+01  0.184399D+01 -0.298292D+01 -0.307625D+01 -0.279059D+01
               261           262           263           264           265 
      1  -0.307625D+01 -0.916587D+00 -0.560385D+00 -0.133221D+01 -0.281210D+01
      2  -0.279059D+01 -0.560385D+00 -0.224883D+00 -0.508679D+00 -0.257609D+01
      3   0.634174D+01 -0.133221D+01 -0.508679D+00 -0.678025D-01 -0.152240D+01
               266           267           268           269           270 
      1  -0.257609D+01 -0.152240D+01 -0.485606D+01 -0.200551D+01 -0.241054D+01
      2  -0.334303D+01 -0.205553D+01 -0.200551D+01 -0.247837D+01 -0.254640D+01
      3  -0.205553D+01 -0.255568D+01 -0.241054D+01 -0.254640D+01 -0.347055D+01
               271           272           273           274           275 
      1  -0.136789D+02  0.274646D+01  0.950014D+00  0.646599D+01 -0.220328D+01
      2   0.274646D+01 -0.127597D+01 -0.302701D+00 -0.220328D+01  0.174908D+01
      3   0.950014D+00 -0.302701D+00 -0.113148D+01 -0.610672D+00  0.100681D+00
               276           277           278           279 
      1  -0.610672D+00  0.586297D+00 -0.272013D+00 -0.155405D+01
      2   0.100681D+00 -0.272013D+00 -0.501238D-01 -0.464875D-01
      3   0.463413D+00 -0.155405D+01 -0.464875D-01  0.452849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.259372D+01  0.433959D+01  0.421348D-01  0.543757D+01  0.568231D+01
      2   0.144755D+02  0.640220D+01 -0.122604D+01 -0.144104D+02  0.458356D+00
      3  -0.451951D+01  0.421905D+02 -0.331164D+01  0.315464D+02  0.258832D+02
                 6             7             8             9            10 
      1  -0.111094D+01  0.356189D+01  0.668360D+01 -0.832213D+00  0.204728D+01
      2   0.904933D+00 -0.191729D+02 -0.274124D+01  0.251749D+01 -0.180658D+02
      3  -0.486125D+01 -0.239997D+01 -0.869247D+01 -0.204827D-01 -0.240367D+01
                11            12            13            14            15 
      1   0.710688D+01 -0.772560D+00  0.684698D+01  0.117319D+01  0.330009D+00
      2   0.833299D+00 -0.350895D+01  0.206803D+02  0.382966D+01 -0.239394D+01
      3   0.497155D+02 -0.409693D+01  0.643136D+02  0.232821D+02 -0.871400D+01
                16            17            18            19            20 
      1   0.251656D+01  0.607663D+01 -0.138401D+01  0.366648D+01 -0.312467D+00
      2  -0.220747D+02 -0.201924D+01  0.270153D+01 -0.229352D+02 -0.824114D+01
      3  -0.495093D+01 -0.928293D+01  0.240172D+01  0.122549D+02 -0.325532D+02
                21            22            23            24            25 
      1  -0.506106D+00 -0.591479D+00  0.403703D+01 -0.275830D+01  0.544198D+01
      2   0.512124D+00 -0.122295D+02 -0.159511D+01 -0.148729D+01 -0.168455D+02
      3   0.139008D+01  0.293513D+01  0.285279D+01 -0.172448D+00  0.352700D+01
                26            27            28            29            30 
      1   0.129268D+01  0.258610D+01  0.261480D+01  0.622455D+00 -0.310962D+00
      2  -0.688790D+01  0.203624D+01  0.296201D+02  0.386921D+01  0.117936D+01
      3   0.499666D+01  0.282100D+01  0.111646D+02  0.834956D+01 -0.758251D+00
                31            32            33            34            35 
      1   0.565985D+01 -0.614981D+01  0.308030D+01 -0.194297D+01  0.152160D+02
      2   0.379685D+01 -0.537955D-01  0.225902D+00 -0.142070D+02 -0.109245D+01
      3   0.286843D+02  0.292433D+01  0.284907D+01 -0.332335D+01 -0.152630D+01
                36            37            38            39            40 
      1  -0.253874D+01  0.227613D+01 -0.557024D+01 -0.529061D+01 -0.340446D+01
      2   0.129437D+01  0.256723D+01  0.380350D+00  0.288664D+01  0.475570D+01
      3  -0.281423D+00  0.295212D+02  0.153705D+01 -0.614104D+00 -0.273022D+01
                41            42            43            44            45 
      1   0.574428D+01 -0.124585D+01 -0.164598D+02  0.760007D+01  0.143487D+01
      2   0.247212D+01  0.952937D+00 -0.826952D+01  0.734620D+01  0.711887D+00
      3   0.408202D+01 -0.212028D+01 -0.829599D+00 -0.213481D+01  0.711448D+01
                46            47            48            49            50 
      1  -0.561476D+01  0.243780D+00  0.522702D+01 -0.220326D+01 -0.458037D+01
      2  -0.834311D+01 -0.120676D+01  0.696006D+00 -0.140211D+01 -0.121172D+01
      3  -0.506468D+02 -0.334504D+02  0.629970D+01 -0.847759D+01 -0.251268D+02
                51            52            53            54            55 
      1  -0.358042D+01  0.867139D+01 -0.488541D+01 -0.275365D+01 -0.119376D+01
      2   0.100725D+01 -0.166576D+02  0.164075D+01  0.304065D+00 -0.629554D+01
      3   0.332114D+01  0.782643D+01  0.625237D+01 -0.737877D+01 -0.286066D+02
                56            57            58            59            60 
      1  -0.579941D+01  0.564036D+01  0.109993D+01 -0.338512D+01 -0.292830D+01
      2  -0.392147D+01 -0.582732D+01 -0.367247D+01 -0.342266D+01  0.380707D+01
      3  -0.339649D+02  0.462012D+01 -0.187090D+01 -0.294918D+02  0.167443D+01
                61            62            63            64            65 
      1   0.564992D+01 -0.236121D+01 -0.756492D+00  0.747495D+00  0.520122D+00
      2  -0.220033D+02  0.614198D+01  0.992864D+00 -0.305754D+00 -0.394072D+00
      3   0.397333D+01  0.578517D+01 -0.117150D+02  0.971717D-01  0.103260D+01
                66            67            68            69            70 
      1   0.435324D+00 -0.440356D+00  0.174316D+01 -0.335478D+01  0.242961D+00
      2  -0.960279D-01 -0.738438D+00  0.882715D+00 -0.113128D+01 -0.213016D+01
      3  -0.150728D+00  0.531173D+01  0.433621D+01 -0.540977D+00 -0.280963D+00
                71            72            73            74            75 
      1   0.211803D+01 -0.175360D+00 -0.172260D+00 -0.118270D+01 -0.225942D+01
      2   0.119472D+01  0.248074D-01  0.351748D+01  0.124504D+01  0.171276D+01
      3  -0.441498D+00 -0.773949D+00  0.916376D+01  0.616088D-01 -0.832734D+00
                76            77            78            79            80 
      1  -0.140799D+01 -0.203948D+01 -0.267342D+01  0.303896D+01  0.135822D+01
      2   0.172729D+01  0.144741D+01  0.220130D+01 -0.334125D+01 -0.449849D-02
      3   0.201339D+01 -0.148402D+01 -0.138753D+00 -0.172127D+01  0.181434D+00
                81            82            83            84            85 
      1  -0.228750D+00 -0.116054D+01  0.147967D+01  0.117391D+01  0.378513D+00
      2  -0.601132D+00 -0.835942D+00  0.846986D+00  0.634458D+00  0.701105D+00
      3  -0.120786D+01 -0.504553D+01  0.263907D+01  0.656520D-01  0.541006D+01
                86            87            88            89            90 
      1  -0.407077D+01 -0.447088D+01 -0.129620D+01  0.277098D+01  0.429005D+00
      2  -0.126344D+01 -0.806345D+00 -0.512370D+00 -0.863484D+00  0.267733D+00
      3  -0.383128D+01  0.691064D+00  0.566120D+00  0.505060D+00  0.105493D+01
                91            92            93            94            95 
      1  -0.479074D+00  0.108877D+01 -0.234429D+00 -0.169758D+01 -0.361701D+00
      2  -0.210216D+02 -0.214993D+01 -0.981522D+01  0.684674D+00  0.846796D+01
      3   0.137071D+01 -0.125792D+01 -0.108866D+01  0.168964D+02 -0.729423D+01
                96            97            98            99           100 
      1  -0.312852D+01 -0.224013D+01  0.325825D+01  0.330605D+01  0.581803D+00
      2  -0.127503D+01 -0.384576D+02 -0.569591D+01 -0.612033D+01 -0.283627D+01
      3  -0.128238D+02 -0.732048D+00 -0.120661D+02  0.564355D+01  0.103411D+02
               101           102           103           104           105 
      1  -0.321145D+01  0.412245D+01 -0.120018D+01 -0.369348D+01  0.593352D+01
      2   0.443542D+01  0.167954D+02  0.143749D+01 -0.897334D+01  0.476289D+01
      3  -0.165980D+02 -0.640161D+01 -0.110768D+02  0.153279D+01  0.143828D+02
               106           107           108           109           110 
      1   0.533045D+00  0.103551D+02  0.196257D+01 -0.447830D+01 -0.189780D+01
      2   0.864961D+01  0.943133D+01  0.143173D+02  0.205597D+02  0.279604D+01
      3  -0.529507D+01  0.100838D+02 -0.146492D+02  0.102075D+01  0.149724D+02
               111           112           113           114           115 
      1   0.395330D+01 -0.115084D+02 -0.366224D+01 -0.168347D+02  0.365204D+01
      2   0.284117D+01 -0.664571D+00  0.534031D+00 -0.254469D+01  0.204176D+02
      3   0.485097D-01  0.131531D+02  0.827738D+01  0.288694D+01 -0.356062D-01
               116           117           118           119           120 
      1  -0.453296D+01  0.160319D+01 -0.715685D+00 -0.134574D+01  0.421785D+00
      2  -0.103726D+01  0.865788D+00 -0.293878D+01 -0.694591D+00  0.599621D+01
      3   0.391353D+01 -0.891635D+00 -0.709005D+01 -0.605062D+01  0.204511D+01
               121           122           123           124           125 
      1  -0.172784D+00 -0.234035D+01  0.375323D+00  0.308007D+00  0.278605D+01
      2   0.797967D+00 -0.510719D+01  0.575358D+01  0.546861D+01  0.469898D+01
      3  -0.183140D+01 -0.875888D+01  0.697572D+01  0.168092D+01  0.838713D+01
               126           127           128           129           130 
      1  -0.962217D+00 -0.119102D+01  0.144859D+01 -0.290167D+01  0.326124D+00
      2  -0.900176D+01 -0.727082D+01 -0.308259D+01 -0.968246D+01 -0.224075D+00
      3  -0.618623D+01  0.380015D+01  0.481737D+01  0.612242D+01  0.323433D+01
               131           132           133           134           135 
      1   0.717998D-01 -0.224238D+01 -0.179613D+01  0.135830D+01 -0.768430D+01
      2  -0.371491D+01 -0.488666D+01 -0.651438D+01 -0.816878D+01 -0.252999D+02
      3   0.413695D+01  0.424647D+01  0.309620D+01  0.640460D+01  0.124084D+02
               136           137           138           139           140 
      1   0.159679D+01  0.155210D+01 -0.219851D+01  0.456554D+00  0.775950D+01
      2   0.194237D+01 -0.489088D+00 -0.200992D+01 -0.630656D+00  0.546554D+01
      3   0.447373D+01  0.524338D+01 -0.159079D+01  0.372694D+01  0.174278D+02
               141           142           143           144           145 
      1  -0.725367D+01 -0.421655D+00 -0.501393D+01  0.662249D+01  0.280553D+00
      2  -0.547512D+01 -0.173136D+01 -0.532406D+01  0.549033D+01  0.680154D+01
      3  -0.707554D+01 -0.166095D+01 -0.116518D+02  0.794060D+01 -0.654394D+01
               146           147           148           149           150 
      1  -0.177506D+01  0.195282D+01 -0.114241D+01  0.747538D+00 -0.129921D+01
      2  -0.352612D+00  0.585672D+01 -0.114545D+01  0.180733D+01 -0.458087D+00
      3  -0.632148D+01 -0.145606D+00 -0.132209D+01  0.965033D+00 -0.131436D+01
               151           152           153           154           155 
      1   0.119128D+01 -0.416789D+00 -0.451382D+00  0.354971D+01  0.192533D+01
      2   0.234983D+01 -0.148797D+01 -0.240861D+01 -0.889502D+01  0.717350D-01
      3   0.117655D+01 -0.110855D+01  0.601567D+00 -0.657648D+01 -0.247291D+02
               156           157           158           159           160 
      1  -0.383072D+01  0.855431D+01  0.255816D+01  0.118097D+01 -0.185353D+01
      2   0.223159D+02  0.241400D+01 -0.122328D+01  0.390917D+01  0.851071D+01
      3  -0.120046D+01 -0.162411D+02 -0.109411D+02 -0.187512D+01 -0.596194D+00
               161           162           163           164           165 
      1   0.312369D+01 -0.191710D+00  0.521921D+01  0.165961D+01  0.108794D+01
      2   0.310179D+01  0.233017D+01 -0.868229D+01 -0.292046D+01  0.512669D+00
      3  -0.260796D+01 -0.187142D+01 -0.343898D+01 -0.316738D+01  0.506042D+00
               166           167           168           169           170 
      1   0.424447D+01 -0.263818D+00  0.476872D+01  0.178421D+01  0.758132D+01
      2  -0.258557D+01  0.577572D+01  0.256480D+00 -0.103360D+02  0.700107D+00
      3   0.194868D+01  0.497464D+00 -0.567862D+01  0.132420D+01 -0.269647D+01
               171           172           173           174           175 
      1  -0.134701D+01 -0.541081D+01 -0.148355D+01 -0.191420D+01 -0.526390D+01
      2   0.225275D+02  0.203673D+02  0.144855D+01 -0.546490D+01  0.313473D+01
      3   0.382695D+00  0.259293D+01  0.159915D+01  0.139965D+00  0.459920D+01
               176           177           178           179           180 
      1   0.127470D+00 -0.264250D+01 -0.180426D+01 -0.953088D+00 -0.690463D+00
      2   0.207998D+01 -0.817392D+00 -0.113889D+01  0.541551D+00  0.125271D+01
      3  -0.600079D-01 -0.827577D+00  0.532213D+00  0.104185D+01  0.195935D+00
               181           182           183           184           185 
      1  -0.709206D+00  0.396717D+01 -0.622900D+01 -0.259583D+01  0.967328D-01
      2   0.472989D+00  0.208194D+01  0.831288D+01 -0.589765D+01  0.240093D+01
      3   0.150975D+02  0.383669D+01 -0.208800D+01 -0.148727D+02  0.853887D+01
               186           187           188           189           190 
      1  -0.113027D+01 -0.121290D+02  0.603139D+01  0.236428D+01  0.247372D+01
      2   0.422924D+01 -0.294056D+01  0.109585D+02 -0.368013D+01 -0.116727D+02
      3   0.546604D-01  0.134611D+01 -0.327599D+01  0.517019D-01  0.722585D+01
               191           192           193           194           195 
      1   0.747894D+01  0.882026D+00  0.610854D+01  0.640396D+01  0.246163D+01
      2  -0.309620D+00  0.279428D+01  0.306474D+01 -0.213746D+01 -0.887322D+00
      3   0.207318D+02 -0.348379D+01  0.409628D+02  0.557030D+01 -0.501021D+01
               196           197           198           199           200 
      1  -0.889359D+00  0.127272D+02 -0.192892D+01  0.200252D+00 -0.685513D+01
      2   0.367095D+01 -0.358796D+01 -0.263589D+01  0.148399D+02 -0.129460D+01
      3  -0.570549D+01 -0.475888D+01 -0.633608D+00  0.172929D+02 -0.388771D+02
               201           202           203           204           205 
      1   0.244347D+00 -0.719848D+00 -0.357765D+01 -0.308023D+01  0.689817D+01
      2   0.182761D+01  0.321645D+01 -0.189899D+01 -0.515412D+01 -0.198861D+02
      3   0.306294D+01  0.750681D-01 -0.106185D+02  0.302395D+01 -0.940847D-01
               206           207           208           209           210 
      1   0.257337D+01 -0.967008D+00 -0.212000D+01 -0.664630D+01 -0.115872D+01
      2  -0.170248D+02  0.496145D+01  0.314705D+01 -0.156247D+01  0.129322D+02
      3   0.847994D+01  0.845952D+01 -0.383676D+01 -0.405095D+02  0.365699D+01
               211           212           213           214           215 
      1   0.509788D-01  0.394049D+00 -0.470253D+01 -0.156139D+01 -0.111891D+01
      2  -0.700951D+00  0.676904D+00  0.560042D+01 -0.630893D+01 -0.153317D+01
      3  -0.178047D+01  0.120902D+02 -0.107680D+01  0.199922D+01  0.435416D+01
               216           217           218           219           220 
      1   0.114439D+01 -0.123774D+01  0.254549D+01  0.109228D+01  0.402272D+01
      2  -0.962346D+00 -0.639377D+01 -0.408759D+01 -0.121982D+01 -0.495561D+01
      3   0.242526D+01 -0.336863D+02  0.114178D+02  0.640489D+01  0.268027D+02
               221           222           223           224           225 
      1   0.348856D+01  0.441147D+01  0.105552D+02  0.635798D+01 -0.147078D+00
      2  -0.406239D+01 -0.375733D+02 -0.167001D+02 -0.284971D+02  0.130914D+02
      3   0.219075D+02  0.168044D+01  0.567383D+01  0.188050D+01  0.289379D+02
               226           227           228           229           230 
      1  -0.315251D+00  0.457647D+00  0.112652D+01 -0.167454D+00  0.367937D+00
      2  -0.542961D+00  0.900932D-01  0.371257D+00  0.546977D+00 -0.190303D+01
      3  -0.697917D+01  0.528950D+01  0.203968D+00  0.565300D+01 -0.194882D+02
               231           232           233           234           235 
      1  -0.443047D+01 -0.428987D+00  0.275392D+01  0.269060D+00  0.177536D+01
      2   0.561936D+00 -0.658335D-01 -0.348838D+00 -0.213575D-01 -0.196741D+01
      3   0.168516D+01  0.357390D+00  0.129828D+01  0.592636D+00  0.639215D+01
               236           237           238           239           240 
      1   0.156238D+00 -0.186699D+01  0.553682D+00 -0.104089D+00 -0.270125D+01
      2  -0.132101D+01  0.196410D+01 -0.199894D+01 -0.227603D+01  0.345566D+01
      3  -0.494847D+01 -0.337486D+00 -0.608104D+01 -0.112524D+02  0.169704D+01
               241           242           243           244           245 
      1   0.224416D+01  0.110465D+01  0.478131D-02 -0.186437D+00  0.590762D+00
      2  -0.290875D+01  0.251427D+00 -0.174887D+00 -0.263117D-01  0.640546D+00
      3  -0.268552D+00  0.153236D+01 -0.107589D+01  0.394233D+01 -0.357463D+01
               246           247           248           249           250 
      1   0.116677D+01  0.392942D+00 -0.442320D+00 -0.392321D+01 -0.157306D+00
      2   0.135347D+01  0.201926D+00  0.644637D+00 -0.314383D+01 -0.212924D+01
      3  -0.352354D+00 -0.223551D+01  0.198772D+02 -0.130869D+01  0.344172D-01
               251           252           253           254           255 
      1   0.190489D+01  0.650671D-01 -0.804827D+00  0.297884D+00  0.977072D+00
      2   0.378437D+00  0.222296D+00 -0.581205D+01  0.767030D+00 -0.266691D+01
      3  -0.208516D+01 -0.354572D+00 -0.123414D+01  0.100546D+01 -0.104795D+01
               256           257           258           259           260 
      1  -0.617543D-01 -0.121121D+01 -0.203783D+01 -0.172601D+01  0.217880D+01
      2  -0.442887D+01 -0.102157D+02  0.174288D+02  0.123418D+02  0.167126D+02
      3  -0.738595D+01 -0.163285D+02  0.116320D+02  0.551756D+01  0.137523D+02
               261           262           263           264           265 
      1   0.342492D+01 -0.327759D+00 -0.317458D+00 -0.145295D+00 -0.244529D+01
      2  -0.358099D+02  0.867511D+01  0.293063D+01  0.136278D+01  0.756945D+01
      3  -0.181327D+02 -0.420892D+01 -0.292436D+01 -0.221327D+01 -0.131653D+02
               266           267           268           269           270 
      1  -0.265580D+01 -0.425884D+01 -0.346770D+01 -0.979496D+00 -0.497700D+01
      2   0.117985D+02  0.161364D+02  0.118127D+02  0.157642D+02  0.208688D+02
      3  -0.243994D+02 -0.118804D+02 -0.888754D+01 -0.166696D+02 -0.155980D+02
               271           272           273           274           275 
      1   0.168157D+01 -0.108374D+01  0.731248D-01 -0.127710D+01  0.812253D+00
      2   0.219931D-01  0.519200D+00  0.877500D+01  0.955654D+00  0.317260D+00
      3   0.220943D+02 -0.127629D+02 -0.218182D+01 -0.145454D+02  0.118614D+02
               276           277           278           279 
      1  -0.868835D+00 -0.114449D+01  0.301277D+00  0.129313D+00
      2  -0.315958D+01  0.745982D+01  0.483658D+00 -0.222751D+01
      3   0.782981D+00 -0.184987D+01  0.149372D+00 -0.261070D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.894022D+02 -0.447352D+02  0.109154D+02  0.897847D+02 -0.387778D+01
      2   0.504106D+02  0.263028D+02 -0.770021D+01 -0.446077D+02  0.753460D+01
      3   0.389917D+02  0.184324D+02 -0.321523D+01 -0.451770D+02 -0.365682D+01
      4  -0.433815D+02  0.122234D+01  0.258717D+01 -0.407270D+01  0.697159D+01
      5   0.139257D+02  0.192434D+01 -0.242821D+01  0.225732D+01  0.181034D+01
      6   0.105420D+01 -0.415080D+01  0.222588D+00  0.351679D+01  0.186645D+01
                 6             7             8             9            10 
      1  -0.940049D+01  0.226469D+01  0.444112D+01 -0.106984D+02  0.757674D+02
      2   0.358541D+01 -0.285358D+01 -0.370999D+01 -0.424521D+00 -0.299108D+02
      3   0.581508D+01  0.588894D+00 -0.731134D+00  0.111229D+02 -0.458566D+02
      4  -0.162713D+00  0.515843D+01  0.116106D+00 -0.621618D+00  0.871034D+01
      5  -0.100666D+01 -0.105578D+01  0.128199D+01  0.308430D+01 -0.111230D+02
      6  -0.862522D+00 -0.312608D+01  0.384637D+01  0.211163D+01  0.281438D+00
                11            12            13            14            15 
      1  -0.704306D+01 -0.812440D+01 -0.103976D+03 -0.271397D+02  0.116434D+02
      2   0.511545D+01  0.152806D+01  0.484083D+02  0.224514D+02 -0.794619D+01
      3   0.192761D+01  0.659633D+01  0.555677D+02  0.468829D+01 -0.369721D+01
      4  -0.336390D-01 -0.202561D+01 -0.201082D+02 -0.139543D+02  0.224375D+01
      5  -0.603419D+00 -0.779188D+01  0.153450D+00 -0.697193D+00  0.783678D+00
      6  -0.161159D+00 -0.198092D+00 -0.138652D+01 -0.512298D+01 -0.118167D+01
                16            17            18            19            20 
      1   0.604710D+00  0.233153D+01 -0.920686D+01  0.559604D+02  0.514628D+02
      2  -0.263656D+01 -0.155155D+01 -0.571298D+00 -0.327099D+02 -0.353871D+02
      3   0.203185D+01 -0.779979D+00  0.977816D+01 -0.232505D+02 -0.160758D+02
      4   0.758397D+00  0.202828D+01 -0.246423D+01  0.411812D+02 -0.503382D+01
      5   0.613836D+00 -0.218850D+01  0.368152D+01 -0.114968D+02 -0.414666D+01
      6  -0.193670D+01  0.483323D+01  0.595087D+00 -0.946837D+00  0.102573D+02
                21            22            23            24            25 
      1  -0.150011D+02 -0.128933D+02  0.218250D+02 -0.772182D+01 -0.690776D+01
      2   0.844230D+01  0.177143D+02 -0.262834D+02  0.411097D+01 -0.672368D+00
      3   0.655878D+01 -0.482101D+01  0.445834D+01  0.361086D+01  0.758013D+01
      4  -0.367397D+01  0.176486D+02  0.631177D+00 -0.140475D+01 -0.112484D+02
      5  -0.181421D+01 -0.504147D+01 -0.147242D+01 -0.555202D+01  0.779620D+01
      6  -0.125360D+01 -0.321539D+01  0.848840D+01  0.515203D+01  0.464151D+00
                26            27            28            29            30 
      1  -0.167984D+02 -0.574902D+01  0.148710D+02 -0.156823D+01  0.950450D+01
      2   0.967596D+01 -0.485583D+01 -0.217396D+02  0.428490D+01 -0.395386D+01
      3   0.712241D+01  0.106049D+02  0.686860D+01 -0.271668D+01 -0.555064D+01
      4  -0.123963D+01 -0.361441D+01 -0.101456D+02  0.978660D+01 -0.151784D+01
      5  -0.846310D+01  0.423504D+01  0.103116D+02 -0.181113D+01  0.725722D+01
      6   0.887306D+01  0.359299D+01  0.263174D+01 -0.469128D+01  0.146150D+01
                31            32            33            34            35 
      1  -0.320660D+02 -0.659382D+02  0.952531D+01  0.152466D+02  0.105287D+02
      2   0.263261D+02  0.568655D+02 -0.107199D+02 -0.107701D+01 -0.762643D+01
      3   0.573990D+01  0.907271D+01  0.119459D+01 -0.141695D+02 -0.290228D+01
      4  -0.388609D+02  0.394544D+01 -0.146248D+01  0.854441D+01 -0.329468D+01
      5   0.101561D+02  0.140426D+01  0.821498D-02  0.245270D+02  0.479780D+01
      6   0.137329D+01 -0.164378D+02 -0.814489D+00 -0.291015D+00  0.590988D+01
                36            37            38            39            40 
      1  -0.704302D+01 -0.126845D+02 -0.683837D+02  0.113867D+02  0.289893D+02
      2  -0.684102D+01  0.637338D+01  0.532875D+02 -0.357539D+01 -0.289640D+02
      3   0.138840D+02  0.631110D+01  0.150962D+02 -0.781126D+01 -0.253307D-01
      4  -0.100347D+01 -0.791608D+01 -0.724307D+01  0.491927D+01  0.132719D+02
      5  -0.226342D+01 -0.239685D+01  0.925570D+01  0.495847D+01  0.113401D+01
      6   0.613307D+00  0.558015D+01 -0.101112D+02  0.121129D+02  0.401888D+01
                41            42            43            44            45 
      1   0.413960D+02 -0.556357D+01  0.577706D+01  0.775253D+01 -0.163112D+02
      2  -0.372296D+02  0.672284D+01  0.732688D+01 -0.494655D+00 -0.228025D+00
      3  -0.416641D+01 -0.115927D+01 -0.131039D+02 -0.725788D+01  0.165392D+02
      4  -0.150920D+02  0.329860D+01  0.926514D+01  0.509416D+01  0.855395D+01
      5   0.426408D+00  0.499426D+01  0.166371D+02  0.467583D+01 -0.636056D+01
      6   0.126959D+02 -0.100132D+01  0.187449D+02  0.104486D+02 -0.797380D+01
                46            47            48            49            50 
      1   0.226646D+02  0.511108D+02 -0.140204D+02 -0.120033D+02  0.519573D+00
      2  -0.160315D+02 -0.375006D+02  0.505931D+01  0.103032D+02 -0.104258D+02
      3  -0.663311D+01 -0.136102D+02  0.896104D+01  0.170010D+01  0.990620D+01
      4  -0.434382D+00 -0.814789D+01  0.423708D+00  0.611093D+01  0.121287D+02
      5   0.107485D+02 -0.184813D+01 -0.161586D+01  0.205379D+01 -0.971633D+00
      6  -0.107206D+01  0.135838D+02 -0.114057D+02 -0.259814D+01  0.440934D+01
                51            52            53            54            55 
      1  -0.735186D+00 -0.418189D+01 -0.651773D+01 -0.230715D+02  0.115659D+02
      2   0.458107D+01  0.718669D+00  0.147516D+02  0.109640D+02 -0.138439D+02
      3  -0.384589D+01  0.346323D+01 -0.823384D+01  0.121075D+02  0.227795D+01
      4  -0.180199D+01 -0.991647D+00  0.224704D+01 -0.406534D+01  0.311937D+02
      5  -0.238455D+00  0.366116D+01  0.203846D-01  0.431201D+01 -0.123075D+02
      6   0.868429D+01 -0.524558D+01  0.230115D+02 -0.525711D+01 -0.265248D+01
                56            57            58            59            60 
      1   0.548678D+02 -0.103974D+02  0.271633D+01  0.214224D+02 -0.410787D+01
      2  -0.347968D+02  0.443875D+01  0.127896D+01 -0.223125D+02  0.408285D+01
      3  -0.200709D+02  0.595869D+01 -0.399529D+01  0.890110D+00  0.250200D-01
      4  -0.383629D+02 -0.212266D+00  0.303795D+02  0.177307D+02 -0.153561D+01
      5  -0.995753D+00 -0.113110D+02 -0.450471D+01 -0.146680D+00  0.559280D+01
      6   0.436082D+01 -0.950211D+01 -0.141651D+01  0.542972D+01  0.804430D+01
                61            62            63            64            65 
      1  -0.360071D+01 -0.994562D+01 -0.207734D+02  0.701509D+00  0.120491D+00
      2   0.255051D+01  0.105512D+02  0.772002D+01  0.189067D+01 -0.144507D+01
      3   0.105020D+01 -0.605607D+00  0.130534D+02 -0.259218D+01  0.132458D+01
      4  -0.503343D+01  0.839870D+01  0.129243D+02 -0.548356D+01  0.839291D+01
      5   0.217473D+01  0.149080D+02  0.150749D+01 -0.164852D+01  0.111732D+01
      6   0.165629D+00  0.212704D+02  0.240619D+00  0.125882D+01 -0.127452D+01
                66            67            68            69            70 
      1  -0.375079D+00  0.413245D+01 -0.212031D+02  0.101175D-01 -0.220015D+01
      2   0.182025D+00 -0.763478D+01  0.272331D+02 -0.537237D-01  0.170388D+01
      3   0.193054D+00  0.350233D+01 -0.603008D+01  0.436062D-01  0.496265D+00
      4   0.164007D+00  0.120692D+02 -0.176222D+02 -0.137186D+00 -0.590799D-01
      5   0.690114D+00  0.130622D+01 -0.273413D+00 -0.199195D+01  0.225339D+00
      6  -0.340969D+00 -0.213580D+01  0.400150D+01  0.465762D+01 -0.179164D+01
                71            72            73            74            75 
      1   0.235089D+01 -0.262909D+01  0.486862D+01 -0.349114D+01  0.135951D+01
      2  -0.217043D+01  0.277301D+01  0.473558D+01  0.107627D+02 -0.127303D+01
      3  -0.180459D+00 -0.143918D+00 -0.960420D+01 -0.727156D+01 -0.864727D-01
      4   0.965997D+00 -0.534120D+00  0.276920D+02  0.232591D+02 -0.536284D+01
      5   0.380297D+00  0.951602D-04 -0.877519D+01 -0.554283D+01  0.544310D+01
      6   0.161657D+01 -0.550028D+00 -0.755469D+01 -0.693388D+01  0.458683D+01
                76            77            78            79            80 
      1  -0.728187D+01 -0.145297D+02  0.395469D+01 -0.710718D+00  0.209345D+01
      2   0.160201D+02  0.248942D+02 -0.373543D+01 -0.259180D+01 -0.306226D+01
      3  -0.873820D+01 -0.103645D+02 -0.219262D+00  0.330252D+01  0.968810D+00
      4   0.267461D+02  0.302666D+02 -0.591917D+01 -0.642376D+01 -0.539161D+01
      5  -0.608484D+01 -0.625860D+01  0.466315D+01  0.141848D+01  0.327336D+01
      6  -0.873383D+01 -0.106379D+02  0.717334D+01  0.210610D+00  0.412245D+01
                81            82            83            84            85 
      1  -0.463896D+00 -0.510473D+01  0.932393D+01 -0.255512D+00  0.628297D+01
      2   0.134032D+01  0.780330D+01 -0.134579D+02  0.412634D+00 -0.779752D+01
      3  -0.876428D+00 -0.269857D+01  0.413396D+01 -0.157122D+00  0.151455D+01
      4   0.327903D+01 -0.503023D+01  0.129957D+02 -0.114523D+01  0.780503D+01
      5  -0.163741D+01  0.154110D+01 -0.250254D+01  0.205481D+01 -0.156207D+01
      6  -0.201316D+01 -0.166039D+01  0.187831D+01 -0.183002D+01  0.207658D+01
                86            87            88            89            90 
      1  -0.531528D+02  0.599325D+01 -0.160506D+00  0.453852D+01 -0.172577D+01
      2   0.712107D+02 -0.576619D+01  0.739629D+00 -0.577417D+01  0.205682D+01
      3  -0.180579D+02 -0.227056D+00 -0.579123D+00  0.123565D+01 -0.331046D+00
      4  -0.148776D+02  0.162986D+01 -0.879930D+00 -0.360131D+00 -0.129745D+01
      5   0.471775D+01 -0.156902D+01  0.923776D+00 -0.162067D+01  0.753337D-01
      6  -0.139771D+02  0.908360D+01  0.793256D+00  0.376404D+01 -0.132835D+01
                91            92            93            94            95 
      1  -0.334065D+02 -0.188427D+02 -0.109072D+02 -0.102788D+02 -0.258321D+00
      2   0.277760D+02  0.158264D+02  0.550581D+01  0.111397D+02 -0.185452D+00
      3   0.563047D+01  0.301625D+01  0.540139D+01 -0.860920D+00  0.443773D+00
      4  -0.125614D+02 -0.113707D+02  0.230960D+01 -0.219162D+02  0.134670D+02
      5  -0.143870D+02  0.203716D+01 -0.230132D+02  0.642576D+01  0.266073D+02
      6   0.174744D+01  0.485931D+01  0.422388D+00  0.720526D+01 -0.458458D+01
                96            97            98            99           100 
      1   0.917429D+01 -0.285066D+02 -0.608132D+00 -0.194392D+02 -0.585790D+02
      2  -0.990883D+01  0.208765D+02 -0.455783D+01  0.125296D+02  0.319988D+02
      3   0.734539D+00  0.763013D+01  0.516596D+01  0.690963D+01  0.265802D+02
      4   0.264900D+02  0.870376D+00  0.220624D+02 -0.927585D+01  0.278683D+02
      5  -0.254657D+01 -0.416495D+02 -0.114566D+02  0.261864D+00  0.283503D+02
      6  -0.972616D+01 -0.491114D+01 -0.291894D+01  0.628048D+01 -0.630695D+01
               101           102           103           104           105 
      1   0.262661D+02  0.267372D+02  0.662409D+01  0.507118D+01 -0.531829D+01
      2  -0.188880D+02 -0.545244D+01 -0.868004D+01 -0.442583D+01  0.193841D+02
      3  -0.737808D+01 -0.212848D+02  0.205596D+01 -0.645354D+00 -0.140658D+02
      4   0.108206D+02 -0.853586D+00  0.174981D+02 -0.164591D+02 -0.263746D+02
      5  -0.386340D+00  0.207774D+02  0.238869D+01 -0.276915D+02  0.545387D+01
      6  -0.408797D+01 -0.127146D+02 -0.749803D+01  0.145034D+02 -0.314738D+00
               106           107           108           109           110 
      1   0.189409D+02  0.826298D+00  0.368556D+02 -0.984008D+02 -0.144145D+02
      2  -0.736115D+01  0.151879D+02 -0.146549D+02  0.396953D+02  0.128508D+01
      3  -0.115798D+02 -0.160142D+02 -0.222006D+02  0.587056D+02  0.131294D+02
      4   0.263818D+01 -0.184104D+02  0.844372D+01 -0.259454D+02 -0.222720D+02
      5   0.146160D+02  0.143123D+02  0.129107D+02 -0.187503D+02 -0.701589D+01
      6  -0.802526D+01 -0.617703D+01 -0.148123D+02 -0.235433D+01 -0.265273D+01
               111           112           113           114           115 
      1  -0.117802D+02 -0.123666D+02 -0.945377D+01 -0.543064D+01  0.369914D+02
      2   0.317522D+01  0.183386D+01  0.767593D+01  0.130380D+01 -0.294478D+02
      3   0.860502D+01  0.105328D+02  0.177785D+01  0.412684D+01 -0.754358D+01
      4  -0.546073D+01  0.852876D+01 -0.948194D+01 -0.246116D+01 -0.359432D+01
      5  -0.862615D+01 -0.553363D+01 -0.343672D+01 -0.808782D+00  0.351756D+02
      6  -0.215925D+01 -0.438763D+01 -0.979253D-01  0.316878D+01  0.714135D+01
               116           117           118           119           120 
      1   0.645505D+00  0.271672D+02  0.168853D+02  0.933229D+01 -0.636443D+01
      2  -0.240816D+01 -0.894373D+01 -0.124114D+02 -0.679769D+01  0.568622D+01
      3   0.176266D+01 -0.182235D+02 -0.447389D+01 -0.253460D+01  0.678209D+00
      4  -0.100502D+01  0.327398D+01  0.150906D+02  0.124030D+02 -0.556554D+01
      5   0.446574D+01  0.391222D+01 -0.162432D+02 -0.659884D+01  0.172464D+02
      6  -0.232725D+01 -0.806475D+00 -0.548732D+01 -0.321689D+01  0.303898D+01
               121           122           123           124           125 
      1   0.188913D+02  0.224101D+01 -0.141012D+01 -0.861291D+01 -0.723791D+00
      2  -0.121828D+02 -0.111170D+01  0.351914D+01  0.873387D+01  0.446014D+01
      3  -0.670846D+01 -0.112932D+01 -0.210902D+01 -0.120964D+00 -0.373635D+01
      4   0.148920D+02  0.187407D+02 -0.153375D+02 -0.702236D+01 -0.158925D+02
      5  -0.121977D+02 -0.160008D+02  0.141915D+02  0.234642D+02  0.128065D+02
      6  -0.488237D+01 -0.856770D+01  0.885303D+01  0.475231D+01  0.768164D+01
               126           127           128           129           130 
      1   0.207540D+01 -0.582106D+01 -0.965892D+01 -0.204684D+02 -0.164602D+01
      2  -0.103264D+02  0.101975D+00  0.607620D+01  0.387245D+01  0.814896D+00
      3   0.825095D+01  0.571908D+01  0.358272D+01  0.165959D+02  0.831129D+00
      4   0.125038D+02  0.503313D+00 -0.512477D+01 -0.116486D+01  0.300051D+00
      5  -0.269776D+02 -0.422251D+01 -0.383778D+01 -0.989508D+01  0.663799D+00
      6  -0.793658D+01  0.378346D+01  0.597971D+01  0.108867D+02  0.137024D+01
               131           132           133           134           135 
      1  -0.100749D+02 -0.839601D+01 -0.126189D+02 -0.124122D+02 -0.383426D+02
      2   0.602256D+01  0.326044D+01  0.440725D+01  0.373894D+01 -0.170082D+01
      3   0.405231D+01  0.513558D+01  0.821160D+01  0.867328D+01  0.400434D+02
      4  -0.453368D+01 -0.408285D+01  0.688383D+01 -0.106257D+02 -0.112530D+02
      5  -0.395283D+01 -0.701062D+01  0.454814D+01 -0.151357D+02 -0.401172D+02
      6   0.676870D+01  0.115274D+02  0.786334D+00  0.152733D+02  0.286771D+02
               136           137           138           139           140 
      1   0.106754D+01 -0.950167D+01  0.977916D+00 -0.748362D+01 -0.164910D+02
      2   0.193829D+01  0.915436D+01 -0.302496D+01  0.292351D+01  0.301983D+02
      3  -0.300583D+01  0.347306D+00  0.204704D+01  0.456011D+01 -0.137073D+02
      4  -0.362471D+01 -0.329478D+01 -0.394053D+00  0.783075D+01 -0.272312D+02
      5   0.125582D+01  0.144135D+01 -0.432412D+01  0.169071D+01  0.116417D+02
      6  -0.103491D+01  0.299743D+00  0.325884D+01 -0.793893D-01 -0.339114D+01
               141           142           143           144           145 
      1   0.548085D+01  0.477413D+01  0.713796D+01 -0.975417D+01  0.937340D+02
      2  -0.125624D+02 -0.165690D+01 -0.165137D+02  0.103327D+02 -0.474548D+02
      3   0.708160D+01 -0.311724D+01  0.937577D+01 -0.578521D+00 -0.462791D+02
      4   0.962106D+01 -0.745275D+01  0.202703D+02 -0.845593D+01 -0.511904D+02
      5  -0.116488D+02 -0.145911D+01 -0.103595D+02  0.125559D+02 -0.385166D+02
      6   0.750110D+01  0.914954D+00  0.580521D+01 -0.654023D+01  0.103705D+02
               146           147           148           149           150 
      1  -0.184315D+02 -0.140179D+02 -0.912229D+01  0.827562D+01  0.126484D+01
      2   0.525877D+01  0.974212D+01  0.101499D+01 -0.138863D+01 -0.135986D+01
      3   0.131728D+02  0.427577D+01  0.810730D+01 -0.688699D+01  0.950197D-01
      4   0.248176D+02  0.104253D+02  0.166973D+02 -0.844687D+01 -0.854121D+00
      5   0.104291D+02  0.194917D+02  0.316732D+01 -0.222202D+01 -0.190127D+01
      6  -0.592110D+01 -0.604576D+01 -0.385938D+01  0.103466D+01  0.237248D+01
               151           152           153           154           155 
      1  -0.100916D+02  0.156357D+01  0.566677D+01  0.205943D+03  0.266087D+02
      2   0.773227D+01 -0.263850D+01 -0.524443D+01 -0.971838D+02 -0.938364D+01
      3   0.235938D+01  0.107494D+01 -0.422346D+00 -0.108759D+03 -0.172251D+02
      4   0.501673D+01 -0.604795D+00 -0.591733D+01  0.369380D+02  0.422614D+02
      5   0.163350D+02 -0.524825D+01 -0.968663D+01  0.409886D+02  0.818758D+01
      6  -0.428977D+01  0.308693D+01  0.359502D+01  0.900695D+00  0.478062D+01
               156           157           158           159           160 
      1   0.130755D+02  0.236358D+02  0.348898D+02  0.891341D+00  0.127970D+02
      2  -0.117822D+02 -0.663583D+01 -0.119568D+02 -0.767721D+00 -0.117721D+02
      3  -0.129335D+01 -0.169999D+02 -0.229329D+02 -0.123620D+00 -0.102491D+01
      4   0.610030D+01  0.501392D+02  0.255881D+02  0.531024D+01  0.505967D+01
      5   0.402064D+02  0.514590D+01  0.906402D+01  0.573705D+01  0.398127D+02
      6   0.148216D+01  0.940671D+01  0.374574D+01  0.564924D+01  0.234362D+01
               161           162           163           164           165 
      1   0.142221D+01  0.233671D+02  0.580597D+02  0.611824D+01  0.201744D+02
      2  -0.131053D+01 -0.159743D+02 -0.396749D+02 -0.245539D+01 -0.121039D+02
      3  -0.111679D+00 -0.739280D+01 -0.183847D+02 -0.366285D+01 -0.807047D+01
      4   0.283597D+01  0.625445D+01  0.741628D+01  0.602862D+01 -0.101313D+01
      5   0.684918D+01  0.119313D+02  0.376057D+02 -0.497667D+00  0.195289D+02
      6   0.460114D+01  0.186607D+01  0.352960D+01  0.669069D+00  0.582153D+00
               166           167           168           169           170 
      1   0.109661D+02 -0.105021D+02 -0.111608D-01 -0.375006D+01 -0.246786D+01
      2  -0.642569D+01  0.313239D+01  0.370919D+00 -0.883442D+00  0.154212D+01
      3  -0.454046D+01  0.736967D+01 -0.359758D+00  0.463350D+01  0.925743D+00
      4   0.222072D+01 -0.212102D+01  0.932146D+01 -0.204809D+01  0.508747D+01
      5   0.404538D+01  0.847384D+01 -0.551981D+00  0.118261D+02 -0.316436D+00
      6   0.198463D+01  0.266632D+00  0.113062D+02 -0.185621D+01  0.101456D+02
               171           172           173           174           175 
      1  -0.339391D+02 -0.538487D+02 -0.209687D+01  0.157435D+01 -0.815642D+01
      2  -0.105195D+02  0.340716D+02  0.137848D+01  0.804316D+01  0.613114D+01
      3   0.444585D+02  0.197772D+02  0.718389D+00 -0.961751D+01  0.202528D+01
      4  -0.149507D+01 -0.393240D+01 -0.391100D+01  0.376166D+00  0.174261D+00
      5   0.385375D+02 -0.292340D+02  0.657036D+00 -0.184112D+02 -0.325513D+01
      6  -0.823382D+00 -0.299855D+01 -0.299993D+01  0.104482D+00 -0.926549D+00
               176           177           178           179           180 
      1  -0.390116D+01  0.457383D+00 -0.156650D+02 -0.104358D+01 -0.991416D+01
      2   0.229480D+01  0.123050D+01  0.152162D+02  0.107256D+01  0.626379D+01
      3   0.160635D+01 -0.168789D+01  0.448853D+00 -0.289777D-01  0.365036D+01
      4  -0.285746D+00  0.256260D+01 -0.186955D+01 -0.781178D+00 -0.151726D+00
      5   0.233929D+01 -0.271201D+01 -0.157634D+02  0.932787D-01 -0.629816D+01
      6  -0.982891D+00  0.264041D+01 -0.738824D+00  0.511546D+00 -0.991088D+00
               181           182           183           184           185 
      1  -0.253989D+01 -0.564830D+02  0.828061D+01  0.897314D+02  0.314710D+02
      2   0.502944D+01  0.395885D+02 -0.352197D+01 -0.627373D+02 -0.250078D+02
      3  -0.248955D+01  0.168945D+02 -0.475864D+01 -0.269941D+02 -0.646316D+01
      4  -0.218727D+02  0.457856D+02  0.351780D+01  0.277615D+02 -0.330887D+02
      5   0.122510D+02  0.449487D+01  0.155550D+02 -0.556950D+01  0.625654D+01
      6   0.536767D+01  0.924036D+00  0.113743D+02  0.415538D+01  0.465819D+01
               186           187           188           189           190 
      1  -0.974877D+01 -0.389838D+01  0.700812D+01  0.159350D+01  0.132589D+03
      2   0.792153D+01  0.720172D+01 -0.224567D+01 -0.915134D+01 -0.726804D+02
      3   0.182725D+01 -0.330334D+01 -0.476245D+01  0.755784D+01 -0.599082D+02
      4   0.356070D+01  0.729759D+01  0.272056D+01  0.171596D+02  0.832606D+01
      5   0.102740D+02  0.290326D+02  0.169644D+02 -0.748556D+01 -0.830259D+00
      6   0.277376D+01  0.162892D+02  0.941522D+01 -0.351813D+01  0.274201D+01
               191           192           193           194           195 
      1   0.278445D+02 -0.120066D+02 -0.288926D+02 -0.281973D+02  0.897828D+01
      2  -0.166770D+02  0.338846D+01  0.285797D+02  0.296847D+02 -0.957809D+01
      3  -0.111675D+02  0.861819D+01  0.312897D+00 -0.148740D+01  0.599809D+00
      4   0.303924D+02 -0.382545D+01 -0.277758D+02  0.606421D+02 -0.313219D+01
      5  -0.517105D+01  0.652358D+01  0.989212D+01 -0.695749D+01 -0.139984D+01
      6   0.265469D+01 -0.431265D+01  0.103535D+01 -0.377822D+01 -0.455974D+01
               196           197           198           199           200 
      1   0.149977D+00  0.322733D+01  0.257751D+02 -0.108817D+03 -0.633360D+01
      2  -0.534144D+00 -0.290449D+01 -0.230087D+02  0.469201D+02  0.174105D+01
      3   0.384167D+00 -0.322840D+00 -0.276639D+01  0.618965D+02  0.459255D+01
      4   0.714476D+01 -0.888823D+01  0.934630D+00 -0.104369D+02 -0.328377D+02
      5   0.519941D+02  0.666262D+01 -0.697062D+01  0.119765D+02  0.158111D+01
      6  -0.176952D+01  0.424029D+01  0.323409D+01 -0.286975D+01  0.239880D+01
               201           202           203           204           205 
      1   0.848848D+01 -0.806972D+02 -0.805381D+01  0.506926D+01  0.199576D+02
      2  -0.364943D+01  0.516088D+02 -0.826167D+01 -0.141668D+01 -0.117607D+02
      3  -0.483906D+01  0.290884D+02  0.163155D+02 -0.365258D+01 -0.819698D+01
      4   0.140997D+01 -0.236342D+01 -0.208927D+02 -0.851845D+00 -0.157861D+01
      5   0.387878D+01  0.532034D+01  0.741810D+00 -0.112744D+02  0.339543D+01
      6   0.645867D-01 -0.369927D+01  0.419176D+01  0.711188D+01 -0.331795D+01
               206           207           208           209           210 
      1  -0.482146D+01 -0.200087D+02 -0.416394D+01 -0.318723D+02  0.847006D+01
      2   0.675804D+01  0.313214D+01  0.129500D+01  0.178797D+02 -0.462932D+00
      3  -0.193658D+01  0.168765D+02  0.286893D+01  0.139926D+02 -0.800713D+01
      4   0.232078D+01 -0.254839D+02 -0.267775D+02  0.734458D+01  0.483610D+01
      5  -0.272583D+02  0.104942D+02  0.237652D+01  0.477320D+01  0.244109D+02
      6   0.166126D+02 -0.695369D+00  0.984006D+00 -0.259508D+01  0.407817D+01
               211           212           213           214           215 
      1  -0.191961D+01  0.127937D+02  0.124386D+01  0.163227D+01  0.140763D+01
      2  -0.339589D+01 -0.406279D+01  0.182285D+01  0.220094D+00 -0.466218D+00
      3   0.531550D+01 -0.873088D+01 -0.306672D+01 -0.185236D+01 -0.941408D+00
      4   0.374754D+02 -0.172838D+02 -0.748013D+00 -0.118698D+01  0.476083D-01
      5  -0.161871D+00  0.152850D+01  0.897824D+01  0.760003D+01 -0.623417D+01
      6  -0.933576D+00  0.213246D+01  0.761222D+01 -0.315294D+01  0.402485D+01
               216           217           218           219           220 
      1  -0.235158D+00 -0.507392D+02  0.520347D+02 -0.187999D+01  0.570426D+02
      2   0.514683D+00  0.287224D+02 -0.281509D+02 -0.566915D+00 -0.280265D+02
      3  -0.279525D+00  0.220169D+02 -0.238838D+02  0.244691D+01 -0.290161D+02
      4  -0.707220D+01  0.514968D+02 -0.163617D+01 -0.134124D+02 -0.332267D+02
      5  -0.368816D+01 -0.139334D+01 -0.141779D+02 -0.774496D+01 -0.160860D+02
      6  -0.127239D+01 -0.607066D+01 -0.779563D+00 -0.950353D+00 -0.107241D+01
               221           222           223           224           225 
      1  -0.104592D+02 -0.209794D+02 -0.538177D+01 -0.163602D+02  0.220999D+01
      2   0.460374D+01  0.193129D+01 -0.214051D+01  0.222587D+01  0.125231D+01
      3   0.585548D+01  0.190482D+02  0.752228D+01  0.141344D+02 -0.346230D+01
      4  -0.220567D+02 -0.977017D+01 -0.132112D+02 -0.102540D+02 -0.482133D+02
      5  -0.107936D+02 -0.712383D+02 -0.241897D+02 -0.499502D+02  0.215760D+02
      6  -0.124099D+01 -0.145696D+02 -0.105243D+02 -0.113904D+02  0.760897D+01
               226           227           228           229           230 
      1  -0.521370D+01  0.140584D+02 -0.421529D+00  0.533354D+01 -0.488356D+02
      2   0.627504D+01 -0.139292D+02  0.496698D+00 -0.468450D+01  0.609935D+02
      3  -0.106133D+01 -0.129174D+00 -0.751693D-01 -0.649040D+00 -0.121579D+02
      4   0.141074D+01  0.435834D+01 -0.793499D+00  0.291064D+01  0.190389D+02
      5   0.233296D+00 -0.111358D+01  0.127016D+01 -0.222677D+00  0.104715D+01
      6  -0.208353D+00 -0.320750D+00 -0.137828D+01  0.362235D+00 -0.308432D+01
               231           232           233           234           235 
      1   0.390398D+01  0.275879D+00  0.327582D+01 -0.129574D+01  0.451940D+02
      2  -0.391908D+01 -0.130059D+00 -0.438906D+01  0.185818D+01 -0.178939D+02
      3   0.150961D-01 -0.145820D+00  0.111324D+01 -0.562437D+00 -0.273001D+02
      4  -0.132639D+01 -0.568444D+00 -0.265345D+01 -0.144085D+01  0.321905D+02
      5   0.162034D+01  0.172712D+01 -0.100021D+01 -0.154636D+00 -0.849611D+01
      6   0.694886D+01 -0.521126D-01  0.214471D+01 -0.784974D+00 -0.315721D+01
               236           237           238           239           240 
      1   0.124941D+02 -0.596631D+01  0.146108D+02  0.823976D+01 -0.172388D+01
      2  -0.565157D-01  0.246454D+01  0.387265D+01  0.102219D+02 -0.673441D+00
      3  -0.124376D+02  0.350177D+01 -0.184834D+02 -0.184617D+02  0.239732D+01
      4   0.253288D+02 -0.544120D+01  0.384947D+02  0.396929D+02 -0.716720D+01
      5  -0.386410D+01  0.437839D+01 -0.584771D+01 -0.487609D+01  0.569159D+01
      6  -0.251387D+01  0.219662D+01 -0.411780D+01 -0.451166D+01  0.485336D+01
               241           242           243           244           245 
      1  -0.745055D+01 -0.234272D+01 -0.454964D+00  0.792662D+00 -0.613123D+01
      2   0.179211D+01 -0.750158D+00  0.998165D+00  0.482291D+01 -0.245475D+01
      3   0.565844D+01  0.309288D+01 -0.543201D+00 -0.561557D+01  0.858598D+01
      4  -0.812541D+01 -0.685251D+01  0.245466D+01 -0.193393D+02  0.210345D+02
      5  -0.849179D+00  0.142947D+01 -0.114491D+01  0.244355D+01 -0.132334D+01
      6  -0.642005D+00  0.163137D+01 -0.928087D+00 -0.842570D+00  0.335622D-01
               246           247           248           249           250 
      1   0.101337D+01 -0.311998D+01 -0.153398D+02  0.109570D+01  0.595177D+00
      2  -0.484751D+00 -0.879739D+01  0.330809D+02 -0.911957D+00  0.601771D-01
      3  -0.528615D+00  0.119174D+02 -0.177411D+02 -0.183739D+00 -0.655354D+00
      4  -0.259484D+00  0.285412D+02 -0.538868D+02  0.305012D+01 -0.102606D+01
      5   0.293334D+01 -0.293477D+01  0.626155D+01 -0.597050D+01  0.177347D+01
      6  -0.167813D+01  0.161653D+01 -0.331267D+01  0.638523D+01 -0.233387D+01
               251           252           253           254           255 
      1   0.238038D+01 -0.124456D+01 -0.147464D+01  0.128422D+01 -0.120836D+02
      2  -0.272118D+01  0.236784D+01 -0.426455D+00 -0.585223D+00  0.448253D+01
      3   0.340800D+00 -0.112327D+01  0.190109D+01 -0.699002D+00  0.760107D+01
      4   0.369146D+01 -0.114590D+01 -0.634653D+00 -0.530386D+00 -0.145124D+01
      5  -0.328930D+00  0.176628D+00 -0.923610D+01 -0.897270D+00 -0.102205D+01
      6   0.227192D+01 -0.796545D+00 -0.158784D+01  0.486995D+00 -0.124594D+01
               256           257           258           259           260 
      1   0.113225D+02  0.266341D+01 -0.323654D+00 -0.333496D+02 -0.501227D+00
      2  -0.701519D+01 -0.651961D+00  0.279169D+01  0.230922D+02  0.307572D+01
      3  -0.430735D+01 -0.201145D+01 -0.246803D+01  0.102574D+02 -0.257449D+01
      4   0.202515D+02  0.243714D+02 -0.201361D+02 -0.153981D+02 -0.208848D+02
      5  -0.143414D+02 -0.196637D+02  0.345250D+02  0.385286D+02  0.306606D+02
      6  -0.505400D+01 -0.826977D+01  0.116726D+02  0.861251D+01  0.111599D+02
               261           262           263           264           265 
      1   0.228807D+01  0.191988D+02  0.786826D+01  0.128383D+02  0.272863D+02
      2  -0.155166D+02 -0.849411D+01 -0.284746D+01 -0.622858D+01 -0.105691D+02
      3   0.132286D+02 -0.107047D+02 -0.502081D+01 -0.660973D+01 -0.167172D+02
      4   0.296929D+02  0.956700D+01  0.752526D+01  0.738399D+01  0.349299D+02
      5  -0.678460D+02  0.154038D+02  0.702633D+01  0.370465D+01  0.193987D+02
      6  -0.148910D+02  0.322887D+01  0.809989D+00 -0.200391D+00  0.486180D+01
               266           267           268           269           270 
      1   0.143731D+02  0.969856D+01  0.447112D+02  0.123282D+02  0.100982D+02
      2   0.201874D-01 -0.962643D+00 -0.217591D+02 -0.293666D+01 -0.709332D+01
      3  -0.143933D+02 -0.873592D+01 -0.229521D+02 -0.939154D+01 -0.300487D+01
      4   0.411032D+02  0.236094D+02  0.258377D+02  0.289598D+02  0.285312D+02
      5   0.248372D+02  0.316268D+02  0.315453D+02  0.302665D+02  0.414659D+02
      6   0.646008D+01  0.802069D+01  0.785613D+01  0.842035D+01  0.814971D+01
               271           272           273           274           275 
      1   0.180023D+03 -0.332459D+02 -0.116133D+02 -0.747276D+02  0.259040D+02
      2  -0.942498D+02  0.175904D+02  0.730376D+01  0.387459D+02 -0.121694D+02
      3  -0.857730D+02  0.156555D+02  0.430952D+01  0.359817D+02 -0.137346D+02
      4  -0.369567D+02  0.205253D+02  0.378175D+01  0.329143D+02 -0.230827D+02
      5  -0.160198D+02  0.407127D+01  0.179116D+02  0.814386D+01 -0.174291D+01
      6   0.334425D+01 -0.156609D+01 -0.657427D+00 -0.265235D+01  0.200693D+01
               276           277           278           279 
      1   0.604435D+01 -0.718795D+01  0.284170D+01  0.150549D+02
      2  -0.345429D+01  0.534874D+01 -0.124981D+01 -0.919743D+01
      3  -0.259006D+01  0.183921D+01 -0.159189D+01 -0.585751D+01
      4  -0.169704D+01  0.324290D+01  0.291974D+00 -0.500485D+00
      5  -0.671928D+01  0.228822D+02 -0.366234D+00 -0.575230D+01
      6   0.206080D+01 -0.114862D+01  0.257500D+01  0.160979D-01
 Leave Link  716 at Fri Aug 13 01:01:55 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307267D+03  0.139214D+02 -0.156652D+02
      2   0.139214D+02  0.174484D+03 -0.533779D+01
      3  -0.156652D+02 -0.533779D+01  0.120223D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.994546D+01 -0.293628D+02  0.124575D+02
      2   0.783212D+02  0.164944D+02  0.116831D+02
      3   0.427102D+02  0.556664D+02 -0.206359D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332889D+03 -0.423059D+02  0.890850D+02
      2   0.158035D+03  0.211814D+02 -0.439091D+02
      3   0.174854D+03  0.211245D+02 -0.451759D+02
      4  -0.545353D+02 -0.119110D+03  0.395524D+02
      5   0.201124D+02  0.435484D+02  0.316746D+02
      6   0.116020D+02 -0.705135D+02 -0.339267D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.398965D+02  0.897936D+01 -0.374351D+01 -0.453195D+02 -0.605308D+01
      2   0.897936D+01  0.504800D+01 -0.175475D+01 -0.605308D+01 -0.529129D+01
      3  -0.374351D+01 -0.175475D+01  0.104185D+00  0.506494D+01  0.102832D+01
                 6             7             8             9            10 
      1   0.506494D+01  0.928469D+00 -0.425212D+00  0.123676D+01 -0.324136D+02
      2   0.102832D+01 -0.425212D+00 -0.209333D+00 -0.934281D+00 -0.761315D+01
      3  -0.372214D+00  0.123676D+01 -0.934281D+00  0.881524D-01  0.293420D+01
                11            12            13            14            15 
      1  -0.761315D+01  0.293420D+01  0.496143D+02  0.726340D+01 -0.572960D+01
      2  -0.953563D+00  0.544667D+00  0.726340D+01  0.708987D+01 -0.170386D+01
      3   0.544667D+00 -0.222595D+00 -0.572960D+01 -0.170386D+01  0.297532D+00
                16            17            18            19            20 
      1  -0.111892D+01  0.270911D+00 -0.455339D+00 -0.468009D+02 -0.102607D+02
      2   0.270911D+00 -0.331105D+00  0.113663D+01 -0.102607D+02 -0.987896D+01
      3  -0.455339D+00  0.113663D+01 -0.232578D+00  0.366130D+01  0.172644D+01
                21            22            23            24            25 
      1   0.366130D+01 -0.182460D+02 -0.199551D+01  0.148764D+00  0.762121D+01
      2   0.172644D+01 -0.199551D+01 -0.621946D+01  0.540242D+00  0.242660D+00
      3  -0.568941D+00  0.148764D+00  0.540242D+00 -0.210238D+01  0.318908D+00
                26            27            28            29            30 
      1   0.242660D+00  0.318908D+00  0.499547D+02  0.519464D+01 -0.806425D+00
      2   0.107159D+01 -0.392514D+01  0.519464D+01  0.464266D+01 -0.664621D+00
      3  -0.392514D+01  0.650923D+00 -0.806425D+00 -0.664621D+00  0.212722D+01
                31            32            33            34            35 
      1   0.723466D+01  0.210272D+01  0.391452D-01 -0.448368D+01 -0.175760D+00
      2   0.210272D+01  0.164423D+02 -0.281753D+01 -0.175760D+00 -0.290436D+01
      3   0.391452D-01 -0.281753D+01  0.305521D+00  0.619445D+01  0.127129D+01
                36            37            38            39            40 
      1   0.619445D+01  0.857453D+01 -0.174962D+01 -0.286023D+00  0.785123D+01
      2   0.127129D+01 -0.174962D+01  0.138137D+02 -0.140319D+01  0.167857D+01
      3  -0.152128D+01 -0.286023D+00 -0.140319D+01  0.244618D+01  0.431523D+00
                41            42            43            44            45 
      1   0.167857D+01  0.431523D+00 -0.957870D+00  0.107744D+01  0.475750D+01
      2  -0.912048D+01  0.157252D+01  0.107744D+01 -0.485733D+00  0.212846D+01
      3   0.157252D+01  0.686831D+00  0.475750D+01  0.212846D+01 -0.245283D+01
                46            47            48            49            50 
      1  -0.140783D+02  0.199485D+01  0.169073D+01  0.569003D+00  0.268408D+01
      2   0.199485D+01 -0.980583D+01  0.203881D+01  0.268408D+01  0.851113D+00
      3   0.169073D+01  0.203881D+01 -0.227960D+01 -0.168304D+00  0.373717D+00
                51            52            53            54            55 
      1  -0.168304D+00  0.143716D+01 -0.283851D-01 -0.146630D+01  0.494350D+01
      2   0.373717D+00 -0.283851D-01  0.211995D+01  0.431196D+01 -0.298286D+01
      3   0.175327D+01 -0.146630D+01  0.431196D+01 -0.958046D+00 -0.295795D+00
                56            57            58            59            60 
      1  -0.298286D+01 -0.295795D+00 -0.219112D+01 -0.392218D+01  0.264287D+00
      2   0.581733D+01 -0.291015D+00 -0.392218D+01 -0.286315D+01  0.944147D-01
      3  -0.291015D+00  0.232171D+01  0.264287D+00  0.944147D-01 -0.168037D+01
                61            62            63            64            65 
      1  -0.350995D+00  0.322882D+00  0.415248D+00  0.675820D+00 -0.192649D+01
      2   0.322882D+00 -0.139520D+01 -0.426408D+01 -0.192649D+01  0.839485D+00
      3   0.415248D+00 -0.426408D+01  0.502486D+00 -0.219374D-01  0.197911D+00
                66            67            68            69            70 
      1  -0.219374D-01 -0.275525D+01  0.285509D+01  0.917576D-01 -0.241407D+00
      2   0.197911D+00  0.285509D+01 -0.643195D+01 -0.329100D-01  0.120223D+00
      3   0.287498D-01  0.917576D-01 -0.329100D-01 -0.623776D+00 -0.886845D-01
                71            72            73            74            75 
      1   0.120223D+00 -0.886845D-01  0.610338D+01  0.335362D+01 -0.109545D+01
      2   0.457913D+00 -0.212042D-01  0.335362D+01  0.330280D+01 -0.779383D+00
      3  -0.212042D-01 -0.100009D-01 -0.109545D+01 -0.779383D+00  0.668011D+00
                76            77            78            79            80 
      1   0.395216D+01  0.436119D+01 -0.983701D+00 -0.138575D+01 -0.909239D+00
      2   0.436119D+01  0.522723D+01 -0.108631D+01 -0.909239D+00 -0.859104D+00
      3  -0.983701D+00 -0.108631D+01  0.899746D+00 -0.229435D+00  0.507993D+00
                81            82            83            84            85 
      1  -0.229435D+00 -0.100975D+01  0.154603D+01 -0.767425D-01  0.673380D+00
      2   0.507993D+00  0.154603D+01 -0.229437D+01  0.102748D+00 -0.140064D+01
      3  -0.143161D+00 -0.767425D-01  0.102748D+00 -0.164878D+00  0.225854D+00
                86            87            88            89            90 
      1  -0.140064D+01  0.225854D+00 -0.144302D-01 -0.623998D-01  0.153902D+00
      2   0.107119D+02 -0.108183D+01 -0.623998D-01 -0.101327D+01  0.169146D+00
      3  -0.108183D+01  0.957631D+00  0.153902D+00  0.169146D+00 -0.134346D+00
                91            92            93            94            95 
      1  -0.216487D+02 -0.305985D+01 -0.188310D+01 -0.112530D+01 -0.218483D+01
      2  -0.305985D+01 -0.870144D+00 -0.318979D+00 -0.218483D+01  0.148967D+01
      3  -0.188310D+01 -0.318979D+00 -0.297153D+01  0.370999D+00  0.325285D+01
                96            97            98            99           100 
      1   0.370999D+00 -0.762145D+01 -0.719440D+00 -0.598862D+01 -0.724458D+01
      2   0.325285D+01 -0.719440D+00  0.223241D+01 -0.172972D+01  0.144182D+01
      3  -0.534833D+00 -0.598862D+01 -0.172972D+01 -0.700454D+00  0.174877D+01
               101           102           103           104           105 
      1   0.144182D+01  0.174877D+01 -0.178470D+01  0.234461D+01  0.651948D+00
      2   0.179488D+01  0.754428D+00  0.234461D+01 -0.172623D+01 -0.339013D+01
      3   0.754428D+00  0.351146D+01  0.651948D+00 -0.339013D+01  0.104175D+01
               106           107           108           109           110 
      1   0.197979D+01  0.854424D+00  0.243220D+01 -0.381362D+01 -0.118122D+01
      2   0.854424D+00 -0.255965D+01  0.239112D+01 -0.118122D+01 -0.358076D+00
      3   0.243220D+01  0.239112D+01  0.319476D+01 -0.290267D+00 -0.411284D+00
               111           112           113           114           115 
      1  -0.290267D+00 -0.140923D+01  0.681427D+00  0.156120D-01  0.128352D+02
      2  -0.411284D+00  0.681427D+00 -0.176642D+00 -0.168070D+00  0.495052D+00
      3   0.124880D+01  0.156120D-01 -0.168070D+00  0.545624D+00  0.556998D+01
               116           117           118           119           120 
      1   0.495052D+00  0.556998D+01  0.383361D+01  0.177804D+01 -0.155259D+01
      2   0.516796D+00  0.415403D+00  0.177804D+01  0.100569D+01 -0.519930D+00
      3   0.415403D+00  0.491634D+00 -0.155259D+01 -0.519930D+00  0.165303D+01
               121           122           123           124           125 
      1   0.570594D+01  0.171469D+01 -0.112793D+01 -0.230009D+01 -0.532110D+00
      2   0.171469D+01  0.243825D+01 -0.194704D+01 -0.532110D+00 -0.192667D+01
      3  -0.112793D+01 -0.194704D+01  0.179342D+01  0.249417D+01  0.160618D+01
               126           127           128           129           130 
      1   0.249417D+01 -0.738755D+00 -0.224951D+00 -0.117649D+01  0.363270D+00
      2   0.160618D+01 -0.224951D+00 -0.105333D+01 -0.955802D+00 -0.298507D+00
      3  -0.335310D+01 -0.117649D+01 -0.955802D+00 -0.259815D+01 -0.118393D+00
               131           132           133           134           135 
      1  -0.298507D+00 -0.118393D+00 -0.171231D+01  0.283106D+00 -0.422880D+00
      2  -0.107001D+01 -0.946463D+00  0.283106D+00 -0.186851D+01 -0.248396D+01
      3  -0.946463D+00 -0.131627D+01 -0.422880D+00 -0.248396D+01 -0.722764D+01
               136           137           138           139           140 
      1   0.108620D+00 -0.472910D+00  0.338876D+00 -0.130895D+01  0.369522D+00
      2  -0.472910D+00 -0.977363D+00  0.726586D-01  0.369522D+00 -0.428738D+01
      3   0.338876D+00  0.726586D-01 -0.764811D+00  0.604533D-01  0.150544D+01
               141           142           143           144           145 
      1   0.604533D-01  0.122136D+01 -0.653702D+00 -0.284501D+00  0.122360D+02
      2   0.150544D+01 -0.653702D+00  0.290272D+01 -0.149320D+01 -0.316591D+01
      3  -0.165853D+01 -0.284501D+00 -0.149320D+01  0.170008D+01 -0.224370D+01
               146           147           148           149           150 
      1  -0.316591D+01 -0.224370D+01 -0.168653D+01  0.128211D+01  0.154810D+00
      2   0.188139D+01  0.767365D+00  0.128211D+01 -0.507446D+00  0.264969D-02
      3   0.767365D+00  0.152288D+01  0.154810D+00  0.264969D-02 -0.136774D+00
               151           152           153           154           155 
      1  -0.139691D+01  0.239078D+00  0.122133D+01  0.193118D+02  0.269884D+01
      2   0.239078D+00  0.482472D-01 -0.543385D+00  0.269884D+01  0.211987D+01
      3   0.122133D+01 -0.543385D+00 -0.941983D+00  0.159801D+01  0.671285D+00
               156           157           158           159           160 
      1   0.159801D+01  0.358121D+01  0.423690D+01  0.263110D+00  0.230515D+01
      2   0.671285D+00  0.423690D+01  0.199254D+01  0.486585D+00  0.545527D+00
      3   0.282157D+01  0.263110D+00  0.486585D+00  0.309994D+00  0.286737D+01
               161           162           163           164           165 
      1   0.545527D+00  0.286737D+01  0.133078D+02  0.448358D+00  0.493124D+01
      2  -0.255275D+00  0.652615D+00  0.448358D+00 -0.588284D+00 -0.250980D+00
      3   0.652615D+00  0.461076D+00  0.493124D+01 -0.250980D+00  0.941097D+00
               166           167           168           169           170 
      1   0.231768D+01 -0.382042D+00  0.416583D+00  0.106587D+01 -0.473093D+00
      2  -0.382042D+00 -0.321750D+00  0.122840D+01 -0.473093D+00  0.579601D+00
      3   0.416583D+00  0.122840D+01 -0.723744D-01  0.364952D+00  0.170024D+00
               171           172           173           174           175 
      1   0.364952D+00 -0.112420D+02  0.687019D-01 -0.288932D+01 -0.140091D+01
      2   0.170024D+00  0.687019D-01 -0.217054D-01  0.166190D+00  0.322850D+00
      3   0.675721D+01 -0.288932D+01  0.166190D+00 -0.307307D+01 -0.421779D+00
               176           177           178           179           180 
      1   0.322850D+00 -0.421779D+00 -0.663778D+01  0.114662D+00 -0.278084D+01
      2  -0.129879D+00  0.667542D+00  0.114662D+00  0.121884D+01 -0.138902D+00
      3   0.667542D+00 -0.580248D+00 -0.278084D+01 -0.138902D+00 -0.283422D-01
               181           182           183           184           185 
      1  -0.618346D+01  0.102721D+01 -0.146485D+00 -0.143953D+02 -0.292880D+01
      2   0.102721D+01 -0.105679D+02  0.298186D-02 -0.292880D+01  0.523757D+01
      3  -0.146485D+00  0.298186D-02 -0.246850D+01  0.120533D+01 -0.361226D+00
               186           187           188           189           190 
      1   0.120533D+01  0.115629D+01 -0.613753D+00 -0.432067D+01 -0.379322D+02
      2  -0.361226D+00 -0.613753D+00  0.128948D+00 -0.268189D+01 -0.559725D+01
      3  -0.149761D+01 -0.432067D+01 -0.268189D+01  0.191620D+01  0.299829D+01
               191           192           193           194           195 
      1  -0.559725D+01  0.299829D+01 -0.107455D+01 -0.215004D+01 -0.733193D+00
      2  -0.951233D+01  0.101287D+01 -0.215004D+01 -0.125723D+02  0.921459D+00
      3   0.101287D+01 -0.402467D+01 -0.733193D+00  0.921459D+00  0.514298D+00
               196           197           198           199           200 
      1   0.290063D+01  0.653680D-01 -0.733973D+01  0.369812D+02  0.986293D+01
      2   0.653680D-01  0.233829D+01 -0.823623D+00  0.986293D+01  0.762455D+01
      3  -0.733973D+01 -0.823623D+00  0.196971D+01 -0.407800D+01 -0.747798D+00
               201           202           203           204           205 
      1  -0.407800D+01  0.165504D+02  0.349534D+01 -0.176351D+01 -0.630315D+01
      2  -0.747798D+00  0.349534D+01  0.621722D+01 -0.127693D+00 -0.100958D+01
      3   0.615812D+00 -0.176351D+01 -0.127693D+00  0.255647D+01  0.220630D+00
               206           207           208           209           210 
      1  -0.100958D+01  0.220630D+00  0.940884D+01  0.412526D+01 -0.152729D+01
      2  -0.569858D+00  0.482205D+01  0.412526D+01  0.368015D+01 -0.777218D+00
      3   0.482205D+01 -0.130584D+01 -0.152729D+01 -0.777218D+00  0.409349D+00
               211           212           213           214           215 
      1  -0.184421D+01 -0.326798D+01  0.413549D+00 -0.756504D+00 -0.450213D-01
      2  -0.326798D+01  0.128873D+01  0.192907D+00 -0.450213D-01 -0.418642D+00
      3   0.413549D+00  0.192907D+00 -0.113151D+01  0.124142D+00  0.751532D+00
               216           217           218           219           220 
      1   0.124142D+00 -0.764783D+00 -0.463176D+01  0.915702D+00 -0.446868D+01
      2   0.751532D+00 -0.463176D+01 -0.872167D+00  0.122522D+01  0.259752D+01
      3  -0.630749D-01  0.915702D+00  0.122522D+01 -0.424612D-02  0.127863D+01
               221           222           223           224           225 
      1   0.259752D+01  0.127863D+01  0.111235D+01  0.108756D+01  0.201904D+01
      2   0.135383D+01  0.750841D+00  0.108756D+01  0.943597D+00  0.431505D+01
      3   0.750841D+00  0.579377D+01  0.201904D+01  0.431505D+01 -0.205398D+01
               226           227           228           229           230 
      1   0.553162D+00 -0.145874D+01  0.786628D-01 -0.414285D+00  0.830168D+00
      2  -0.145874D+01  0.205065D+01 -0.808256D-02  0.830168D+00 -0.965434D+01
      3   0.786628D-01 -0.808256D-02  0.119276D+00 -0.125126D+00  0.716153D+00
               231           232           233           234           235 
      1  -0.125126D+00 -0.197252D-01  0.647463D-01 -0.102665D+00 -0.718490D+01
      2   0.716153D+00  0.647463D-01  0.831207D+00 -0.800195D-01 -0.303519D+01
      3  -0.843320D+00 -0.102665D+00 -0.800195D-01  0.948928D-01  0.114409D+01
               236           237           238           239           240 
      1  -0.303519D+01  0.114409D+01 -0.431663D+01 -0.434031D+01  0.903783D+00
      2  -0.263875D+01  0.563531D+00 -0.434031D+01 -0.468518D+01  0.898723D+00
      3   0.563531D+00 -0.427983D+00  0.903783D+00  0.898723D+00 -0.714725D+00
               241           242           243           244           245 
      1   0.143799D+01  0.859317D+00  0.288117D+00 -0.124093D+01  0.249608D+01
      2   0.859317D+00  0.795037D+00 -0.189679D+00  0.249608D+01 -0.212066D+01
      3   0.288117D+00 -0.189679D+00  0.159724D-01 -0.198444D+00 -0.672265D-01
               246           247           248           249           250 
      1  -0.198444D+00  0.304113D+01 -0.364025D+01  0.177743D+00 -0.257022D+00
      2  -0.672265D-01 -0.364025D+01  0.835529D+01 -0.458843D+00  0.911660D-01
      3  -0.284344D+00  0.177743D+00 -0.458843D+00  0.884269D+00 -0.158196D+00
               251           252           253           254           255 
      1   0.911660D-01 -0.158196D+00  0.100254D+01  0.158797D+00  0.653902D+00
      2  -0.692210D+00  0.431202D-01  0.158797D+00  0.393084D+00 -0.854617D-01
      3   0.431202D-01 -0.404681D-01  0.653902D+00 -0.854617D-01  0.513289D+00
               256           257           258           259           260 
      1  -0.136714D+01 -0.147665D+01  0.112579D+01  0.382633D+01  0.119109D+01
      2  -0.147665D+01 -0.204408D+01  0.184399D+01  0.119109D+01  0.183227D+01
      3   0.112579D+01  0.184399D+01 -0.298292D+01 -0.307625D+01 -0.279059D+01
               261           262           263           264           265 
      1  -0.307625D+01 -0.916587D+00 -0.560385D+00 -0.133221D+01 -0.281210D+01
      2  -0.279059D+01 -0.560385D+00 -0.224883D+00 -0.508679D+00 -0.257609D+01
      3   0.634174D+01 -0.133221D+01 -0.508679D+00 -0.678025D-01 -0.152240D+01
               266           267           268           269           270 
      1  -0.257609D+01 -0.152240D+01 -0.485606D+01 -0.200551D+01 -0.241054D+01
      2  -0.334303D+01 -0.205553D+01 -0.200551D+01 -0.247837D+01 -0.254640D+01
      3  -0.205553D+01 -0.255568D+01 -0.241054D+01 -0.254640D+01 -0.347055D+01
               271           272           273           274           275 
      1  -0.136789D+02  0.274646D+01  0.950014D+00  0.646599D+01 -0.220328D+01
      2   0.274646D+01 -0.127597D+01 -0.302701D+00 -0.220328D+01  0.174908D+01
      3   0.950014D+00 -0.302701D+00 -0.113148D+01 -0.610672D+00  0.100681D+00
               276           277           278           279 
      1  -0.610672D+00  0.586297D+00 -0.272013D+00 -0.155405D+01
      2   0.100681D+00 -0.272013D+00 -0.501238D-01 -0.464875D-01
      3   0.463413D+00 -0.155405D+01 -0.464875D-01  0.452849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.259372D+01  0.433959D+01  0.421348D-01  0.543757D+01  0.568231D+01
      2   0.144755D+02  0.640220D+01 -0.122604D+01 -0.144104D+02  0.458356D+00
      3  -0.451951D+01  0.421905D+02 -0.331164D+01  0.315464D+02  0.258832D+02
                 6             7             8             9            10 
      1  -0.111094D+01  0.356189D+01  0.668360D+01 -0.832213D+00  0.204728D+01
      2   0.904933D+00 -0.191729D+02 -0.274124D+01  0.251749D+01 -0.180658D+02
      3  -0.486125D+01 -0.239997D+01 -0.869247D+01 -0.204827D-01 -0.240367D+01
                11            12            13            14            15 
      1   0.710688D+01 -0.772560D+00  0.684698D+01  0.117319D+01  0.330009D+00
      2   0.833299D+00 -0.350895D+01  0.206803D+02  0.382966D+01 -0.239394D+01
      3   0.497155D+02 -0.409693D+01  0.643136D+02  0.232821D+02 -0.871400D+01
                16            17            18            19            20 
      1   0.251656D+01  0.607663D+01 -0.138401D+01  0.366648D+01 -0.312467D+00
      2  -0.220747D+02 -0.201924D+01  0.270153D+01 -0.229352D+02 -0.824114D+01
      3  -0.495093D+01 -0.928293D+01  0.240172D+01  0.122549D+02 -0.325532D+02
                21            22            23            24            25 
      1  -0.506106D+00 -0.591479D+00  0.403703D+01 -0.275830D+01  0.544198D+01
      2   0.512124D+00 -0.122295D+02 -0.159511D+01 -0.148729D+01 -0.168455D+02
      3   0.139008D+01  0.293513D+01  0.285279D+01 -0.172448D+00  0.352700D+01
                26            27            28            29            30 
      1   0.129268D+01  0.258610D+01  0.261480D+01  0.622455D+00 -0.310962D+00
      2  -0.688790D+01  0.203624D+01  0.296201D+02  0.386921D+01  0.117936D+01
      3   0.499666D+01  0.282100D+01  0.111646D+02  0.834956D+01 -0.758251D+00
                31            32            33            34            35 
      1   0.565985D+01 -0.614981D+01  0.308030D+01 -0.194297D+01  0.152160D+02
      2   0.379685D+01 -0.537955D-01  0.225902D+00 -0.142070D+02 -0.109245D+01
      3   0.286843D+02  0.292433D+01  0.284907D+01 -0.332335D+01 -0.152630D+01
                36            37            38            39            40 
      1  -0.253874D+01  0.227613D+01 -0.557024D+01 -0.529061D+01 -0.340446D+01
      2   0.129437D+01  0.256723D+01  0.380350D+00  0.288664D+01  0.475570D+01
      3  -0.281423D+00  0.295212D+02  0.153705D+01 -0.614104D+00 -0.273022D+01
                41            42            43            44            45 
      1   0.574428D+01 -0.124585D+01 -0.164598D+02  0.760007D+01  0.143487D+01
      2   0.247212D+01  0.952937D+00 -0.826952D+01  0.734620D+01  0.711887D+00
      3   0.408202D+01 -0.212028D+01 -0.829599D+00 -0.213481D+01  0.711448D+01
                46            47            48            49            50 
      1  -0.561476D+01  0.243780D+00  0.522702D+01 -0.220326D+01 -0.458037D+01
      2  -0.834311D+01 -0.120676D+01  0.696006D+00 -0.140211D+01 -0.121172D+01
      3  -0.506468D+02 -0.334504D+02  0.629970D+01 -0.847759D+01 -0.251268D+02
                51            52            53            54            55 
      1  -0.358042D+01  0.867139D+01 -0.488541D+01 -0.275365D+01 -0.119376D+01
      2   0.100725D+01 -0.166576D+02  0.164075D+01  0.304065D+00 -0.629554D+01
      3   0.332114D+01  0.782643D+01  0.625237D+01 -0.737877D+01 -0.286066D+02
                56            57            58            59            60 
      1  -0.579941D+01  0.564036D+01  0.109993D+01 -0.338512D+01 -0.292830D+01
      2  -0.392147D+01 -0.582732D+01 -0.367247D+01 -0.342266D+01  0.380707D+01
      3  -0.339649D+02  0.462012D+01 -0.187090D+01 -0.294918D+02  0.167443D+01
                61            62            63            64            65 
      1   0.564992D+01 -0.236121D+01 -0.756492D+00  0.747495D+00  0.520122D+00
      2  -0.220033D+02  0.614198D+01  0.992864D+00 -0.305754D+00 -0.394072D+00
      3   0.397333D+01  0.578517D+01 -0.117150D+02  0.971717D-01  0.103260D+01
                66            67            68            69            70 
      1   0.435324D+00 -0.440356D+00  0.174316D+01 -0.335478D+01  0.242961D+00
      2  -0.960279D-01 -0.738438D+00  0.882715D+00 -0.113128D+01 -0.213016D+01
      3  -0.150728D+00  0.531173D+01  0.433621D+01 -0.540977D+00 -0.280963D+00
                71            72            73            74            75 
      1   0.211803D+01 -0.175360D+00 -0.172260D+00 -0.118270D+01 -0.225942D+01
      2   0.119472D+01  0.248074D-01  0.351748D+01  0.124504D+01  0.171276D+01
      3  -0.441498D+00 -0.773949D+00  0.916376D+01  0.616088D-01 -0.832734D+00
                76            77            78            79            80 
      1  -0.140799D+01 -0.203948D+01 -0.267342D+01  0.303896D+01  0.135822D+01
      2   0.172729D+01  0.144741D+01  0.220130D+01 -0.334125D+01 -0.449849D-02
      3   0.201339D+01 -0.148402D+01 -0.138753D+00 -0.172127D+01  0.181434D+00
                81            82            83            84            85 
      1  -0.228750D+00 -0.116054D+01  0.147967D+01  0.117391D+01  0.378513D+00
      2  -0.601132D+00 -0.835942D+00  0.846986D+00  0.634458D+00  0.701105D+00
      3  -0.120786D+01 -0.504553D+01  0.263907D+01  0.656520D-01  0.541006D+01
                86            87            88            89            90 
      1  -0.407077D+01 -0.447088D+01 -0.129620D+01  0.277098D+01  0.429005D+00
      2  -0.126344D+01 -0.806345D+00 -0.512370D+00 -0.863484D+00  0.267733D+00
      3  -0.383128D+01  0.691064D+00  0.566120D+00  0.505060D+00  0.105493D+01
                91            92            93            94            95 
      1  -0.479074D+00  0.108877D+01 -0.234429D+00 -0.169758D+01 -0.361701D+00
      2  -0.210216D+02 -0.214993D+01 -0.981522D+01  0.684674D+00  0.846796D+01
      3   0.137071D+01 -0.125792D+01 -0.108866D+01  0.168964D+02 -0.729423D+01
                96            97            98            99           100 
      1  -0.312852D+01 -0.224013D+01  0.325825D+01  0.330605D+01  0.581803D+00
      2  -0.127503D+01 -0.384576D+02 -0.569591D+01 -0.612033D+01 -0.283627D+01
      3  -0.128238D+02 -0.732048D+00 -0.120661D+02  0.564355D+01  0.103411D+02
               101           102           103           104           105 
      1  -0.321145D+01  0.412245D+01 -0.120018D+01 -0.369348D+01  0.593352D+01
      2   0.443542D+01  0.167954D+02  0.143749D+01 -0.897334D+01  0.476289D+01
      3  -0.165980D+02 -0.640161D+01 -0.110768D+02  0.153279D+01  0.143828D+02
               106           107           108           109           110 
      1   0.533045D+00  0.103551D+02  0.196257D+01 -0.447830D+01 -0.189780D+01
      2   0.864961D+01  0.943133D+01  0.143173D+02  0.205597D+02  0.279604D+01
      3  -0.529507D+01  0.100838D+02 -0.146492D+02  0.102075D+01  0.149724D+02
               111           112           113           114           115 
      1   0.395330D+01 -0.115084D+02 -0.366224D+01 -0.168347D+02  0.365204D+01
      2   0.284117D+01 -0.664571D+00  0.534031D+00 -0.254469D+01  0.204176D+02
      3   0.485097D-01  0.131531D+02  0.827738D+01  0.288694D+01 -0.356062D-01
               116           117           118           119           120 
      1  -0.453296D+01  0.160319D+01 -0.715685D+00 -0.134574D+01  0.421785D+00
      2  -0.103726D+01  0.865788D+00 -0.293878D+01 -0.694591D+00  0.599621D+01
      3   0.391353D+01 -0.891635D+00 -0.709005D+01 -0.605062D+01  0.204511D+01
               121           122           123           124           125 
      1  -0.172784D+00 -0.234035D+01  0.375323D+00  0.308007D+00  0.278605D+01
      2   0.797967D+00 -0.510719D+01  0.575358D+01  0.546861D+01  0.469898D+01
      3  -0.183140D+01 -0.875888D+01  0.697572D+01  0.168092D+01  0.838713D+01
               126           127           128           129           130 
      1  -0.962217D+00 -0.119102D+01  0.144859D+01 -0.290167D+01  0.326124D+00
      2  -0.900176D+01 -0.727082D+01 -0.308259D+01 -0.968246D+01 -0.224075D+00
      3  -0.618623D+01  0.380015D+01  0.481737D+01  0.612242D+01  0.323433D+01
               131           132           133           134           135 
      1   0.717998D-01 -0.224238D+01 -0.179613D+01  0.135830D+01 -0.768430D+01
      2  -0.371491D+01 -0.488666D+01 -0.651438D+01 -0.816878D+01 -0.252999D+02
      3   0.413695D+01  0.424647D+01  0.309620D+01  0.640460D+01  0.124084D+02
               136           137           138           139           140 
      1   0.159679D+01  0.155210D+01 -0.219851D+01  0.456554D+00  0.775950D+01
      2   0.194237D+01 -0.489088D+00 -0.200992D+01 -0.630656D+00  0.546554D+01
      3   0.447373D+01  0.524338D+01 -0.159079D+01  0.372694D+01  0.174278D+02
               141           142           143           144           145 
      1  -0.725367D+01 -0.421655D+00 -0.501393D+01  0.662249D+01  0.280553D+00
      2  -0.547512D+01 -0.173136D+01 -0.532406D+01  0.549033D+01  0.680154D+01
      3  -0.707554D+01 -0.166095D+01 -0.116518D+02  0.794060D+01 -0.654394D+01
               146           147           148           149           150 
      1  -0.177506D+01  0.195282D+01 -0.114241D+01  0.747538D+00 -0.129921D+01
      2  -0.352612D+00  0.585672D+01 -0.114545D+01  0.180733D+01 -0.458087D+00
      3  -0.632148D+01 -0.145606D+00 -0.132209D+01  0.965033D+00 -0.131436D+01
               151           152           153           154           155 
      1   0.119128D+01 -0.416789D+00 -0.451382D+00  0.354971D+01  0.192533D+01
      2   0.234983D+01 -0.148797D+01 -0.240861D+01 -0.889502D+01  0.717350D-01
      3   0.117655D+01 -0.110855D+01  0.601567D+00 -0.657648D+01 -0.247291D+02
               156           157           158           159           160 
      1  -0.383072D+01  0.855431D+01  0.255816D+01  0.118097D+01 -0.185353D+01
      2   0.223159D+02  0.241400D+01 -0.122328D+01  0.390917D+01  0.851071D+01
      3  -0.120046D+01 -0.162411D+02 -0.109411D+02 -0.187512D+01 -0.596194D+00
               161           162           163           164           165 
      1   0.312369D+01 -0.191710D+00  0.521921D+01  0.165961D+01  0.108794D+01
      2   0.310179D+01  0.233017D+01 -0.868229D+01 -0.292046D+01  0.512669D+00
      3  -0.260796D+01 -0.187142D+01 -0.343898D+01 -0.316738D+01  0.506042D+00
               166           167           168           169           170 
      1   0.424447D+01 -0.263818D+00  0.476872D+01  0.178421D+01  0.758132D+01
      2  -0.258557D+01  0.577572D+01  0.256480D+00 -0.103360D+02  0.700107D+00
      3   0.194868D+01  0.497464D+00 -0.567862D+01  0.132420D+01 -0.269647D+01
               171           172           173           174           175 
      1  -0.134701D+01 -0.541081D+01 -0.148355D+01 -0.191420D+01 -0.526390D+01
      2   0.225275D+02  0.203673D+02  0.144855D+01 -0.546490D+01  0.313473D+01
      3   0.382695D+00  0.259293D+01  0.159915D+01  0.139965D+00  0.459920D+01
               176           177           178           179           180 
      1   0.127470D+00 -0.264250D+01 -0.180426D+01 -0.953088D+00 -0.690463D+00
      2   0.207998D+01 -0.817392D+00 -0.113889D+01  0.541551D+00  0.125271D+01
      3  -0.600079D-01 -0.827577D+00  0.532213D+00  0.104185D+01  0.195935D+00
               181           182           183           184           185 
      1  -0.709206D+00  0.396717D+01 -0.622900D+01 -0.259583D+01  0.967328D-01
      2   0.472989D+00  0.208194D+01  0.831288D+01 -0.589765D+01  0.240093D+01
      3   0.150975D+02  0.383669D+01 -0.208800D+01 -0.148727D+02  0.853887D+01
               186           187           188           189           190 
      1  -0.113027D+01 -0.121290D+02  0.603139D+01  0.236428D+01  0.247372D+01
      2   0.422924D+01 -0.294056D+01  0.109585D+02 -0.368013D+01 -0.116727D+02
      3   0.546604D-01  0.134611D+01 -0.327599D+01  0.517019D-01  0.722585D+01
               191           192           193           194           195 
      1   0.747894D+01  0.882026D+00  0.610854D+01  0.640396D+01  0.246163D+01
      2  -0.309620D+00  0.279428D+01  0.306474D+01 -0.213746D+01 -0.887322D+00
      3   0.207318D+02 -0.348379D+01  0.409628D+02  0.557030D+01 -0.501021D+01
               196           197           198           199           200 
      1  -0.889359D+00  0.127272D+02 -0.192892D+01  0.200252D+00 -0.685513D+01
      2   0.367095D+01 -0.358796D+01 -0.263589D+01  0.148399D+02 -0.129460D+01
      3  -0.570549D+01 -0.475888D+01 -0.633608D+00  0.172929D+02 -0.388771D+02
               201           202           203           204           205 
      1   0.244347D+00 -0.719848D+00 -0.357765D+01 -0.308023D+01  0.689817D+01
      2   0.182761D+01  0.321645D+01 -0.189899D+01 -0.515412D+01 -0.198861D+02
      3   0.306294D+01  0.750681D-01 -0.106185D+02  0.302395D+01 -0.940847D-01
               206           207           208           209           210 
      1   0.257337D+01 -0.967008D+00 -0.212000D+01 -0.664630D+01 -0.115872D+01
      2  -0.170248D+02  0.496145D+01  0.314705D+01 -0.156247D+01  0.129322D+02
      3   0.847994D+01  0.845952D+01 -0.383676D+01 -0.405095D+02  0.365699D+01
               211           212           213           214           215 
      1   0.509788D-01  0.394049D+00 -0.470253D+01 -0.156139D+01 -0.111891D+01
      2  -0.700951D+00  0.676904D+00  0.560042D+01 -0.630893D+01 -0.153317D+01
      3  -0.178047D+01  0.120902D+02 -0.107680D+01  0.199922D+01  0.435416D+01
               216           217           218           219           220 
      1   0.114439D+01 -0.123774D+01  0.254549D+01  0.109228D+01  0.402272D+01
      2  -0.962346D+00 -0.639377D+01 -0.408759D+01 -0.121982D+01 -0.495561D+01
      3   0.242526D+01 -0.336863D+02  0.114178D+02  0.640489D+01  0.268027D+02
               221           222           223           224           225 
      1   0.348856D+01  0.441147D+01  0.105552D+02  0.635798D+01 -0.147078D+00
      2  -0.406239D+01 -0.375733D+02 -0.167001D+02 -0.284971D+02  0.130914D+02
      3   0.219075D+02  0.168044D+01  0.567383D+01  0.188050D+01  0.289379D+02
               226           227           228           229           230 
      1  -0.315251D+00  0.457647D+00  0.112652D+01 -0.167454D+00  0.367937D+00
      2  -0.542961D+00  0.900932D-01  0.371257D+00  0.546977D+00 -0.190303D+01
      3  -0.697917D+01  0.528950D+01  0.203968D+00  0.565300D+01 -0.194882D+02
               231           232           233           234           235 
      1  -0.443047D+01 -0.428987D+00  0.275392D+01  0.269060D+00  0.177536D+01
      2   0.561936D+00 -0.658335D-01 -0.348838D+00 -0.213575D-01 -0.196741D+01
      3   0.168516D+01  0.357390D+00  0.129828D+01  0.592636D+00  0.639215D+01
               236           237           238           239           240 
      1   0.156238D+00 -0.186699D+01  0.553682D+00 -0.104089D+00 -0.270125D+01
      2  -0.132101D+01  0.196410D+01 -0.199894D+01 -0.227603D+01  0.345566D+01
      3  -0.494847D+01 -0.337486D+00 -0.608104D+01 -0.112524D+02  0.169704D+01
               241           242           243           244           245 
      1   0.224416D+01  0.110465D+01  0.478131D-02 -0.186437D+00  0.590762D+00
      2  -0.290875D+01  0.251427D+00 -0.174887D+00 -0.263117D-01  0.640546D+00
      3  -0.268552D+00  0.153236D+01 -0.107589D+01  0.394233D+01 -0.357463D+01
               246           247           248           249           250 
      1   0.116677D+01  0.392942D+00 -0.442320D+00 -0.392321D+01 -0.157306D+00
      2   0.135347D+01  0.201926D+00  0.644637D+00 -0.314383D+01 -0.212924D+01
      3  -0.352354D+00 -0.223551D+01  0.198772D+02 -0.130869D+01  0.344172D-01
               251           252           253           254           255 
      1   0.190489D+01  0.650671D-01 -0.804827D+00  0.297884D+00  0.977072D+00
      2   0.378437D+00  0.222296D+00 -0.581205D+01  0.767030D+00 -0.266691D+01
      3  -0.208516D+01 -0.354572D+00 -0.123414D+01  0.100546D+01 -0.104795D+01
               256           257           258           259           260 
      1  -0.617543D-01 -0.121121D+01 -0.203783D+01 -0.172601D+01  0.217880D+01
      2  -0.442887D+01 -0.102157D+02  0.174288D+02  0.123418D+02  0.167126D+02
      3  -0.738595D+01 -0.163285D+02  0.116320D+02  0.551756D+01  0.137523D+02
               261           262           263           264           265 
      1   0.342492D+01 -0.327759D+00 -0.317458D+00 -0.145295D+00 -0.244529D+01
      2  -0.358099D+02  0.867511D+01  0.293063D+01  0.136278D+01  0.756945D+01
      3  -0.181327D+02 -0.420892D+01 -0.292436D+01 -0.221327D+01 -0.131653D+02
               266           267           268           269           270 
      1  -0.265580D+01 -0.425884D+01 -0.346770D+01 -0.979496D+00 -0.497700D+01
      2   0.117985D+02  0.161364D+02  0.118127D+02  0.157642D+02  0.208688D+02
      3  -0.243994D+02 -0.118804D+02 -0.888754D+01 -0.166696D+02 -0.155980D+02
               271           272           273           274           275 
      1   0.168157D+01 -0.108374D+01  0.731248D-01 -0.127710D+01  0.812253D+00
      2   0.219931D-01  0.519200D+00  0.877500D+01  0.955654D+00  0.317260D+00
      3   0.220943D+02 -0.127629D+02 -0.218182D+01 -0.145454D+02  0.118614D+02
               276           277           278           279 
      1  -0.868835D+00 -0.114449D+01  0.301277D+00  0.129313D+00
      2  -0.315958D+01  0.745982D+01  0.483658D+00 -0.222751D+01
      3   0.782981D+00 -0.184987D+01  0.149372D+00 -0.261070D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.894022D+02 -0.447352D+02  0.109154D+02  0.897847D+02 -0.387778D+01
      2   0.504106D+02  0.263028D+02 -0.770021D+01 -0.446077D+02  0.753460D+01
      3   0.389917D+02  0.184324D+02 -0.321523D+01 -0.451770D+02 -0.365682D+01
      4  -0.433815D+02  0.122234D+01  0.258717D+01 -0.407270D+01  0.697159D+01
      5   0.139257D+02  0.192434D+01 -0.242821D+01  0.225732D+01  0.181034D+01
      6   0.105420D+01 -0.415080D+01  0.222588D+00  0.351679D+01  0.186645D+01
                 6             7             8             9            10 
      1  -0.940049D+01  0.226469D+01  0.444112D+01 -0.106984D+02  0.757674D+02
      2   0.358541D+01 -0.285358D+01 -0.370999D+01 -0.424521D+00 -0.299108D+02
      3   0.581508D+01  0.588894D+00 -0.731134D+00  0.111229D+02 -0.458566D+02
      4  -0.162713D+00  0.515843D+01  0.116106D+00 -0.621618D+00  0.871034D+01
      5  -0.100666D+01 -0.105578D+01  0.128199D+01  0.308430D+01 -0.111230D+02
      6  -0.862522D+00 -0.312608D+01  0.384637D+01  0.211163D+01  0.281438D+00
                11            12            13            14            15 
      1  -0.704306D+01 -0.812440D+01 -0.103976D+03 -0.271397D+02  0.116434D+02
      2   0.511545D+01  0.152806D+01  0.484083D+02  0.224514D+02 -0.794619D+01
      3   0.192761D+01  0.659633D+01  0.555677D+02  0.468829D+01 -0.369721D+01
      4  -0.336390D-01 -0.202561D+01 -0.201082D+02 -0.139543D+02  0.224375D+01
      5  -0.603419D+00 -0.779188D+01  0.153450D+00 -0.697193D+00  0.783678D+00
      6  -0.161159D+00 -0.198092D+00 -0.138652D+01 -0.512298D+01 -0.118167D+01
                16            17            18            19            20 
      1   0.604710D+00  0.233153D+01 -0.920686D+01  0.559604D+02  0.514628D+02
      2  -0.263656D+01 -0.155155D+01 -0.571298D+00 -0.327099D+02 -0.353871D+02
      3   0.203185D+01 -0.779979D+00  0.977816D+01 -0.232505D+02 -0.160758D+02
      4   0.758397D+00  0.202828D+01 -0.246423D+01  0.411812D+02 -0.503382D+01
      5   0.613836D+00 -0.218850D+01  0.368152D+01 -0.114968D+02 -0.414666D+01
      6  -0.193670D+01  0.483323D+01  0.595087D+00 -0.946837D+00  0.102573D+02
                21            22            23            24            25 
      1  -0.150011D+02 -0.128933D+02  0.218250D+02 -0.772182D+01 -0.690776D+01
      2   0.844230D+01  0.177143D+02 -0.262834D+02  0.411097D+01 -0.672368D+00
      3   0.655878D+01 -0.482101D+01  0.445834D+01  0.361086D+01  0.758013D+01
      4  -0.367397D+01  0.176486D+02  0.631177D+00 -0.140475D+01 -0.112484D+02
      5  -0.181421D+01 -0.504147D+01 -0.147242D+01 -0.555202D+01  0.779620D+01
      6  -0.125360D+01 -0.321539D+01  0.848840D+01  0.515203D+01  0.464151D+00
                26            27            28            29            30 
      1  -0.167984D+02 -0.574902D+01  0.148710D+02 -0.156823D+01  0.950450D+01
      2   0.967596D+01 -0.485583D+01 -0.217396D+02  0.428490D+01 -0.395386D+01
      3   0.712241D+01  0.106049D+02  0.686860D+01 -0.271668D+01 -0.555064D+01
      4  -0.123963D+01 -0.361441D+01 -0.101456D+02  0.978660D+01 -0.151784D+01
      5  -0.846310D+01  0.423504D+01  0.103116D+02 -0.181113D+01  0.725722D+01
      6   0.887306D+01  0.359299D+01  0.263174D+01 -0.469128D+01  0.146150D+01
                31            32            33            34            35 
      1  -0.320660D+02 -0.659382D+02  0.952531D+01  0.152466D+02  0.105287D+02
      2   0.263261D+02  0.568655D+02 -0.107199D+02 -0.107701D+01 -0.762643D+01
      3   0.573990D+01  0.907271D+01  0.119459D+01 -0.141695D+02 -0.290228D+01
      4  -0.388609D+02  0.394544D+01 -0.146248D+01  0.854441D+01 -0.329468D+01
      5   0.101561D+02  0.140426D+01  0.821498D-02  0.245270D+02  0.479780D+01
      6   0.137329D+01 -0.164378D+02 -0.814489D+00 -0.291015D+00  0.590988D+01
                36            37            38            39            40 
      1  -0.704302D+01 -0.126845D+02 -0.683837D+02  0.113867D+02  0.289893D+02
      2  -0.684102D+01  0.637338D+01  0.532875D+02 -0.357539D+01 -0.289640D+02
      3   0.138840D+02  0.631110D+01  0.150962D+02 -0.781126D+01 -0.253307D-01
      4  -0.100347D+01 -0.791608D+01 -0.724307D+01  0.491927D+01  0.132719D+02
      5  -0.226342D+01 -0.239685D+01  0.925570D+01  0.495847D+01  0.113401D+01
      6   0.613307D+00  0.558015D+01 -0.101112D+02  0.121129D+02  0.401888D+01
                41            42            43            44            45 
      1   0.413960D+02 -0.556357D+01  0.577706D+01  0.775253D+01 -0.163112D+02
      2  -0.372296D+02  0.672284D+01  0.732688D+01 -0.494655D+00 -0.228025D+00
      3  -0.416641D+01 -0.115927D+01 -0.131039D+02 -0.725788D+01  0.165392D+02
      4  -0.150920D+02  0.329860D+01  0.926514D+01  0.509416D+01  0.855395D+01
      5   0.426408D+00  0.499426D+01  0.166371D+02  0.467583D+01 -0.636056D+01
      6   0.126959D+02 -0.100132D+01  0.187449D+02  0.104486D+02 -0.797380D+01
                46            47            48            49            50 
      1   0.226646D+02  0.511108D+02 -0.140204D+02 -0.120033D+02  0.519573D+00
      2  -0.160315D+02 -0.375006D+02  0.505931D+01  0.103032D+02 -0.104258D+02
      3  -0.663311D+01 -0.136102D+02  0.896104D+01  0.170010D+01  0.990620D+01
      4  -0.434382D+00 -0.814789D+01  0.423708D+00  0.611093D+01  0.121287D+02
      5   0.107485D+02 -0.184813D+01 -0.161586D+01  0.205379D+01 -0.971633D+00
      6  -0.107206D+01  0.135838D+02 -0.114057D+02 -0.259814D+01  0.440934D+01
                51            52            53            54            55 
      1  -0.735186D+00 -0.418189D+01 -0.651773D+01 -0.230715D+02  0.115659D+02
      2   0.458107D+01  0.718669D+00  0.147516D+02  0.109640D+02 -0.138439D+02
      3  -0.384589D+01  0.346323D+01 -0.823384D+01  0.121075D+02  0.227795D+01
      4  -0.180199D+01 -0.991647D+00  0.224704D+01 -0.406534D+01  0.311937D+02
      5  -0.238455D+00  0.366116D+01  0.203846D-01  0.431201D+01 -0.123075D+02
      6   0.868429D+01 -0.524558D+01  0.230115D+02 -0.525711D+01 -0.265248D+01
                56            57            58            59            60 
      1   0.548678D+02 -0.103974D+02  0.271633D+01  0.214224D+02 -0.410787D+01
      2  -0.347968D+02  0.443875D+01  0.127896D+01 -0.223125D+02  0.408285D+01
      3  -0.200709D+02  0.595869D+01 -0.399529D+01  0.890110D+00  0.250200D-01
      4  -0.383629D+02 -0.212266D+00  0.303795D+02  0.177307D+02 -0.153561D+01
      5  -0.995753D+00 -0.113110D+02 -0.450471D+01 -0.146680D+00  0.559280D+01
      6   0.436082D+01 -0.950211D+01 -0.141651D+01  0.542972D+01  0.804430D+01
                61            62            63            64            65 
      1  -0.360071D+01 -0.994562D+01 -0.207734D+02  0.701509D+00  0.120491D+00
      2   0.255051D+01  0.105512D+02  0.772002D+01  0.189067D+01 -0.144507D+01
      3   0.105020D+01 -0.605607D+00  0.130534D+02 -0.259218D+01  0.132458D+01
      4  -0.503343D+01  0.839870D+01  0.129243D+02 -0.548356D+01  0.839291D+01
      5   0.217473D+01  0.149080D+02  0.150749D+01 -0.164852D+01  0.111732D+01
      6   0.165629D+00  0.212704D+02  0.240619D+00  0.125882D+01 -0.127452D+01
                66            67            68            69            70 
      1  -0.375079D+00  0.413245D+01 -0.212031D+02  0.101175D-01 -0.220015D+01
      2   0.182025D+00 -0.763478D+01  0.272331D+02 -0.537237D-01  0.170388D+01
      3   0.193054D+00  0.350233D+01 -0.603008D+01  0.436062D-01  0.496265D+00
      4   0.164007D+00  0.120692D+02 -0.176222D+02 -0.137186D+00 -0.590799D-01
      5   0.690114D+00  0.130622D+01 -0.273413D+00 -0.199195D+01  0.225339D+00
      6  -0.340969D+00 -0.213580D+01  0.400150D+01  0.465762D+01 -0.179164D+01
                71            72            73            74            75 
      1   0.235089D+01 -0.262909D+01  0.486862D+01 -0.349114D+01  0.135951D+01
      2  -0.217043D+01  0.277301D+01  0.473558D+01  0.107627D+02 -0.127303D+01
      3  -0.180459D+00 -0.143918D+00 -0.960420D+01 -0.727156D+01 -0.864727D-01
      4   0.965997D+00 -0.534120D+00  0.276920D+02  0.232591D+02 -0.536284D+01
      5   0.380297D+00  0.951602D-04 -0.877519D+01 -0.554283D+01  0.544310D+01
      6   0.161657D+01 -0.550028D+00 -0.755469D+01 -0.693388D+01  0.458683D+01
                76            77            78            79            80 
      1  -0.728187D+01 -0.145297D+02  0.395469D+01 -0.710718D+00  0.209345D+01
      2   0.160201D+02  0.248942D+02 -0.373543D+01 -0.259180D+01 -0.306226D+01
      3  -0.873820D+01 -0.103645D+02 -0.219262D+00  0.330252D+01  0.968810D+00
      4   0.267461D+02  0.302666D+02 -0.591917D+01 -0.642376D+01 -0.539161D+01
      5  -0.608484D+01 -0.625860D+01  0.466315D+01  0.141848D+01  0.327336D+01
      6  -0.873383D+01 -0.106379D+02  0.717334D+01  0.210610D+00  0.412245D+01
                81            82            83            84            85 
      1  -0.463896D+00 -0.510473D+01  0.932393D+01 -0.255512D+00  0.628297D+01
      2   0.134032D+01  0.780330D+01 -0.134579D+02  0.412634D+00 -0.779752D+01
      3  -0.876428D+00 -0.269857D+01  0.413396D+01 -0.157122D+00  0.151455D+01
      4   0.327903D+01 -0.503023D+01  0.129957D+02 -0.114523D+01  0.780503D+01
      5  -0.163741D+01  0.154110D+01 -0.250254D+01  0.205481D+01 -0.156207D+01
      6  -0.201316D+01 -0.166039D+01  0.187831D+01 -0.183002D+01  0.207658D+01
                86            87            88            89            90 
      1  -0.531528D+02  0.599325D+01 -0.160506D+00  0.453852D+01 -0.172577D+01
      2   0.712107D+02 -0.576619D+01  0.739629D+00 -0.577417D+01  0.205682D+01
      3  -0.180579D+02 -0.227056D+00 -0.579123D+00  0.123565D+01 -0.331046D+00
      4  -0.148776D+02  0.162986D+01 -0.879930D+00 -0.360131D+00 -0.129745D+01
      5   0.471775D+01 -0.156902D+01  0.923776D+00 -0.162067D+01  0.753337D-01
      6  -0.139771D+02  0.908360D+01  0.793256D+00  0.376404D+01 -0.132835D+01
                91            92            93            94            95 
      1  -0.334065D+02 -0.188427D+02 -0.109072D+02 -0.102788D+02 -0.258321D+00
      2   0.277760D+02  0.158264D+02  0.550581D+01  0.111397D+02 -0.185452D+00
      3   0.563047D+01  0.301625D+01  0.540139D+01 -0.860920D+00  0.443773D+00
      4  -0.125614D+02 -0.113707D+02  0.230960D+01 -0.219162D+02  0.134670D+02
      5  -0.143870D+02  0.203716D+01 -0.230132D+02  0.642576D+01  0.266073D+02
      6   0.174744D+01  0.485931D+01  0.422388D+00  0.720526D+01 -0.458458D+01
                96            97            98            99           100 
      1   0.917429D+01 -0.285066D+02 -0.608132D+00 -0.194392D+02 -0.585790D+02
      2  -0.990883D+01  0.208765D+02 -0.455783D+01  0.125296D+02  0.319988D+02
      3   0.734539D+00  0.763013D+01  0.516596D+01  0.690963D+01  0.265802D+02
      4   0.264900D+02  0.870376D+00  0.220624D+02 -0.927585D+01  0.278683D+02
      5  -0.254657D+01 -0.416495D+02 -0.114566D+02  0.261864D+00  0.283503D+02
      6  -0.972616D+01 -0.491114D+01 -0.291894D+01  0.628048D+01 -0.630695D+01
               101           102           103           104           105 
      1   0.262661D+02  0.267372D+02  0.662409D+01  0.507118D+01 -0.531829D+01
      2  -0.188880D+02 -0.545244D+01 -0.868004D+01 -0.442583D+01  0.193841D+02
      3  -0.737808D+01 -0.212848D+02  0.205596D+01 -0.645354D+00 -0.140658D+02
      4   0.108206D+02 -0.853586D+00  0.174981D+02 -0.164591D+02 -0.263746D+02
      5  -0.386340D+00  0.207774D+02  0.238869D+01 -0.276915D+02  0.545387D+01
      6  -0.408797D+01 -0.127146D+02 -0.749803D+01  0.145034D+02 -0.314738D+00
               106           107           108           109           110 
      1   0.189409D+02  0.826298D+00  0.368556D+02 -0.984008D+02 -0.144145D+02
      2  -0.736115D+01  0.151879D+02 -0.146549D+02  0.396953D+02  0.128508D+01
      3  -0.115798D+02 -0.160142D+02 -0.222006D+02  0.587056D+02  0.131294D+02
      4   0.263818D+01 -0.184104D+02  0.844372D+01 -0.259454D+02 -0.222720D+02
      5   0.146160D+02  0.143123D+02  0.129107D+02 -0.187503D+02 -0.701589D+01
      6  -0.802526D+01 -0.617703D+01 -0.148123D+02 -0.235433D+01 -0.265273D+01
               111           112           113           114           115 
      1  -0.117802D+02 -0.123666D+02 -0.945377D+01 -0.543064D+01  0.369914D+02
      2   0.317522D+01  0.183386D+01  0.767593D+01  0.130380D+01 -0.294478D+02
      3   0.860502D+01  0.105328D+02  0.177785D+01  0.412684D+01 -0.754358D+01
      4  -0.546073D+01  0.852876D+01 -0.948194D+01 -0.246116D+01 -0.359432D+01
      5  -0.862615D+01 -0.553363D+01 -0.343672D+01 -0.808782D+00  0.351756D+02
      6  -0.215925D+01 -0.438763D+01 -0.979253D-01  0.316878D+01  0.714135D+01
               116           117           118           119           120 
      1   0.645505D+00  0.271672D+02  0.168853D+02  0.933229D+01 -0.636443D+01
      2  -0.240816D+01 -0.894373D+01 -0.124114D+02 -0.679769D+01  0.568622D+01
      3   0.176266D+01 -0.182235D+02 -0.447389D+01 -0.253460D+01  0.678209D+00
      4  -0.100502D+01  0.327398D+01  0.150906D+02  0.124030D+02 -0.556554D+01
      5   0.446574D+01  0.391222D+01 -0.162432D+02 -0.659884D+01  0.172464D+02
      6  -0.232725D+01 -0.806475D+00 -0.548732D+01 -0.321689D+01  0.303898D+01
               121           122           123           124           125 
      1   0.188913D+02  0.224101D+01 -0.141012D+01 -0.861291D+01 -0.723791D+00
      2  -0.121828D+02 -0.111170D+01  0.351914D+01  0.873387D+01  0.446014D+01
      3  -0.670846D+01 -0.112932D+01 -0.210902D+01 -0.120964D+00 -0.373635D+01
      4   0.148920D+02  0.187407D+02 -0.153375D+02 -0.702236D+01 -0.158925D+02
      5  -0.121977D+02 -0.160008D+02  0.141915D+02  0.234642D+02  0.128065D+02
      6  -0.488237D+01 -0.856770D+01  0.885303D+01  0.475231D+01  0.768164D+01
               126           127           128           129           130 
      1   0.207540D+01 -0.582106D+01 -0.965892D+01 -0.204684D+02 -0.164602D+01
      2  -0.103264D+02  0.101975D+00  0.607620D+01  0.387245D+01  0.814896D+00
      3   0.825095D+01  0.571908D+01  0.358272D+01  0.165959D+02  0.831129D+00
      4   0.125038D+02  0.503313D+00 -0.512477D+01 -0.116486D+01  0.300051D+00
      5  -0.269776D+02 -0.422251D+01 -0.383778D+01 -0.989508D+01  0.663799D+00
      6  -0.793658D+01  0.378346D+01  0.597971D+01  0.108867D+02  0.137024D+01
               131           132           133           134           135 
      1  -0.100749D+02 -0.839601D+01 -0.126189D+02 -0.124122D+02 -0.383426D+02
      2   0.602256D+01  0.326044D+01  0.440725D+01  0.373894D+01 -0.170082D+01
      3   0.405231D+01  0.513558D+01  0.821160D+01  0.867328D+01  0.400434D+02
      4  -0.453368D+01 -0.408285D+01  0.688383D+01 -0.106257D+02 -0.112530D+02
      5  -0.395283D+01 -0.701062D+01  0.454814D+01 -0.151357D+02 -0.401172D+02
      6   0.676870D+01  0.115274D+02  0.786334D+00  0.152733D+02  0.286771D+02
               136           137           138           139           140 
      1   0.106754D+01 -0.950167D+01  0.977916D+00 -0.748362D+01 -0.164910D+02
      2   0.193829D+01  0.915436D+01 -0.302496D+01  0.292351D+01  0.301983D+02
      3  -0.300583D+01  0.347306D+00  0.204704D+01  0.456011D+01 -0.137073D+02
      4  -0.362471D+01 -0.329478D+01 -0.394053D+00  0.783075D+01 -0.272312D+02
      5   0.125582D+01  0.144135D+01 -0.432412D+01  0.169071D+01  0.116417D+02
      6  -0.103491D+01  0.299743D+00  0.325884D+01 -0.793893D-01 -0.339114D+01
               141           142           143           144           145 
      1   0.548085D+01  0.477413D+01  0.713796D+01 -0.975417D+01  0.937340D+02
      2  -0.125624D+02 -0.165690D+01 -0.165137D+02  0.103327D+02 -0.474548D+02
      3   0.708160D+01 -0.311724D+01  0.937577D+01 -0.578521D+00 -0.462791D+02
      4   0.962106D+01 -0.745275D+01  0.202703D+02 -0.845593D+01 -0.511904D+02
      5  -0.116488D+02 -0.145911D+01 -0.103595D+02  0.125559D+02 -0.385166D+02
      6   0.750110D+01  0.914954D+00  0.580521D+01 -0.654023D+01  0.103705D+02
               146           147           148           149           150 
      1  -0.184315D+02 -0.140179D+02 -0.912229D+01  0.827562D+01  0.126484D+01
      2   0.525877D+01  0.974212D+01  0.101499D+01 -0.138863D+01 -0.135986D+01
      3   0.131728D+02  0.427577D+01  0.810730D+01 -0.688699D+01  0.950197D-01
      4   0.248176D+02  0.104253D+02  0.166973D+02 -0.844687D+01 -0.854121D+00
      5   0.104291D+02  0.194917D+02  0.316732D+01 -0.222202D+01 -0.190127D+01
      6  -0.592110D+01 -0.604576D+01 -0.385938D+01  0.103466D+01  0.237248D+01
               151           152           153           154           155 
      1  -0.100916D+02  0.156357D+01  0.566677D+01  0.205943D+03  0.266087D+02
      2   0.773227D+01 -0.263850D+01 -0.524443D+01 -0.971838D+02 -0.938364D+01
      3   0.235938D+01  0.107494D+01 -0.422346D+00 -0.108759D+03 -0.172251D+02
      4   0.501673D+01 -0.604795D+00 -0.591733D+01  0.369380D+02  0.422614D+02
      5   0.163350D+02 -0.524825D+01 -0.968663D+01  0.409886D+02  0.818758D+01
      6  -0.428977D+01  0.308693D+01  0.359502D+01  0.900695D+00  0.478062D+01
               156           157           158           159           160 
      1   0.130755D+02  0.236358D+02  0.348898D+02  0.891341D+00  0.127970D+02
      2  -0.117822D+02 -0.663583D+01 -0.119568D+02 -0.767721D+00 -0.117721D+02
      3  -0.129335D+01 -0.169999D+02 -0.229329D+02 -0.123620D+00 -0.102491D+01
      4   0.610030D+01  0.501392D+02  0.255881D+02  0.531024D+01  0.505967D+01
      5   0.402064D+02  0.514590D+01  0.906402D+01  0.573705D+01  0.398127D+02
      6   0.148216D+01  0.940671D+01  0.374574D+01  0.564924D+01  0.234362D+01
               161           162           163           164           165 
      1   0.142221D+01  0.233671D+02  0.580597D+02  0.611824D+01  0.201744D+02
      2  -0.131053D+01 -0.159743D+02 -0.396749D+02 -0.245539D+01 -0.121039D+02
      3  -0.111679D+00 -0.739280D+01 -0.183847D+02 -0.366285D+01 -0.807047D+01
      4   0.283597D+01  0.625445D+01  0.741628D+01  0.602862D+01 -0.101313D+01
      5   0.684918D+01  0.119313D+02  0.376057D+02 -0.497667D+00  0.195289D+02
      6   0.460114D+01  0.186607D+01  0.352960D+01  0.669069D+00  0.582153D+00
               166           167           168           169           170 
      1   0.109661D+02 -0.105021D+02 -0.111608D-01 -0.375006D+01 -0.246786D+01
      2  -0.642569D+01  0.313239D+01  0.370919D+00 -0.883442D+00  0.154212D+01
      3  -0.454046D+01  0.736967D+01 -0.359758D+00  0.463350D+01  0.925743D+00
      4   0.222072D+01 -0.212102D+01  0.932146D+01 -0.204809D+01  0.508747D+01
      5   0.404538D+01  0.847384D+01 -0.551981D+00  0.118261D+02 -0.316436D+00
      6   0.198463D+01  0.266632D+00  0.113062D+02 -0.185621D+01  0.101456D+02
               171           172           173           174           175 
      1  -0.339391D+02 -0.538487D+02 -0.209687D+01  0.157435D+01 -0.815642D+01
      2  -0.105195D+02  0.340716D+02  0.137848D+01  0.804316D+01  0.613114D+01
      3   0.444585D+02  0.197772D+02  0.718389D+00 -0.961751D+01  0.202528D+01
      4  -0.149507D+01 -0.393240D+01 -0.391100D+01  0.376166D+00  0.174261D+00
      5   0.385375D+02 -0.292340D+02  0.657036D+00 -0.184112D+02 -0.325513D+01
      6  -0.823382D+00 -0.299855D+01 -0.299993D+01  0.104482D+00 -0.926549D+00
               176           177           178           179           180 
      1  -0.390116D+01  0.457383D+00 -0.156650D+02 -0.104358D+01 -0.991416D+01
      2   0.229480D+01  0.123050D+01  0.152162D+02  0.107256D+01  0.626379D+01
      3   0.160635D+01 -0.168789D+01  0.448853D+00 -0.289777D-01  0.365036D+01
      4  -0.285746D+00  0.256260D+01 -0.186955D+01 -0.781178D+00 -0.151726D+00
      5   0.233929D+01 -0.271201D+01 -0.157634D+02  0.932787D-01 -0.629816D+01
      6  -0.982891D+00  0.264041D+01 -0.738824D+00  0.511546D+00 -0.991088D+00
               181           182           183           184           185 
      1  -0.253989D+01 -0.564830D+02  0.828061D+01  0.897314D+02  0.314710D+02
      2   0.502944D+01  0.395885D+02 -0.352197D+01 -0.627373D+02 -0.250078D+02
      3  -0.248955D+01  0.168945D+02 -0.475864D+01 -0.269941D+02 -0.646316D+01
      4  -0.218727D+02  0.457856D+02  0.351780D+01  0.277615D+02 -0.330887D+02
      5   0.122510D+02  0.449487D+01  0.155550D+02 -0.556950D+01  0.625654D+01
      6   0.536767D+01  0.924036D+00  0.113743D+02  0.415538D+01  0.465819D+01
               186           187           188           189           190 
      1  -0.974877D+01 -0.389838D+01  0.700812D+01  0.159350D+01  0.132589D+03
      2   0.792153D+01  0.720172D+01 -0.224567D+01 -0.915134D+01 -0.726804D+02
      3   0.182725D+01 -0.330334D+01 -0.476245D+01  0.755784D+01 -0.599082D+02
      4   0.356070D+01  0.729759D+01  0.272056D+01  0.171596D+02  0.832606D+01
      5   0.102740D+02  0.290326D+02  0.169644D+02 -0.748556D+01 -0.830259D+00
      6   0.277376D+01  0.162892D+02  0.941522D+01 -0.351813D+01  0.274201D+01
               191           192           193           194           195 
      1   0.278445D+02 -0.120066D+02 -0.288926D+02 -0.281973D+02  0.897828D+01
      2  -0.166770D+02  0.338846D+01  0.285797D+02  0.296847D+02 -0.957809D+01
      3  -0.111675D+02  0.861819D+01  0.312897D+00 -0.148740D+01  0.599809D+00
      4   0.303924D+02 -0.382545D+01 -0.277758D+02  0.606421D+02 -0.313219D+01
      5  -0.517105D+01  0.652358D+01  0.989212D+01 -0.695749D+01 -0.139984D+01
      6   0.265469D+01 -0.431265D+01  0.103535D+01 -0.377822D+01 -0.455974D+01
               196           197           198           199           200 
      1   0.149977D+00  0.322733D+01  0.257751D+02 -0.108817D+03 -0.633360D+01
      2  -0.534144D+00 -0.290449D+01 -0.230087D+02  0.469201D+02  0.174105D+01
      3   0.384167D+00 -0.322840D+00 -0.276639D+01  0.618965D+02  0.459255D+01
      4   0.714476D+01 -0.888823D+01  0.934630D+00 -0.104369D+02 -0.328377D+02
      5   0.519941D+02  0.666262D+01 -0.697062D+01  0.119765D+02  0.158111D+01
      6  -0.176952D+01  0.424029D+01  0.323409D+01 -0.286975D+01  0.239880D+01
               201           202           203           204           205 
      1   0.848848D+01 -0.806972D+02 -0.805381D+01  0.506926D+01  0.199576D+02
      2  -0.364943D+01  0.516088D+02 -0.826167D+01 -0.141668D+01 -0.117607D+02
      3  -0.483906D+01  0.290884D+02  0.163155D+02 -0.365258D+01 -0.819698D+01
      4   0.140997D+01 -0.236342D+01 -0.208927D+02 -0.851845D+00 -0.157861D+01
      5   0.387878D+01  0.532034D+01  0.741810D+00 -0.112744D+02  0.339543D+01
      6   0.645867D-01 -0.369927D+01  0.419176D+01  0.711188D+01 -0.331795D+01
               206           207           208           209           210 
      1  -0.482146D+01 -0.200087D+02 -0.416394D+01 -0.318723D+02  0.847006D+01
      2   0.675804D+01  0.313214D+01  0.129500D+01  0.178797D+02 -0.462932D+00
      3  -0.193658D+01  0.168765D+02  0.286893D+01  0.139926D+02 -0.800713D+01
      4   0.232078D+01 -0.254839D+02 -0.267775D+02  0.734458D+01  0.483610D+01
      5  -0.272583D+02  0.104942D+02  0.237652D+01  0.477320D+01  0.244109D+02
      6   0.166126D+02 -0.695369D+00  0.984006D+00 -0.259508D+01  0.407817D+01
               211           212           213           214           215 
      1  -0.191961D+01  0.127937D+02  0.124386D+01  0.163227D+01  0.140763D+01
      2  -0.339589D+01 -0.406279D+01  0.182285D+01  0.220094D+00 -0.466218D+00
      3   0.531550D+01 -0.873088D+01 -0.306672D+01 -0.185236D+01 -0.941408D+00
      4   0.374754D+02 -0.172838D+02 -0.748013D+00 -0.118698D+01  0.476083D-01
      5  -0.161871D+00  0.152850D+01  0.897824D+01  0.760003D+01 -0.623417D+01
      6  -0.933576D+00  0.213246D+01  0.761222D+01 -0.315294D+01  0.402485D+01
               216           217           218           219           220 
      1  -0.235158D+00 -0.507392D+02  0.520347D+02 -0.187999D+01  0.570426D+02
      2   0.514683D+00  0.287224D+02 -0.281509D+02 -0.566915D+00 -0.280265D+02
      3  -0.279525D+00  0.220169D+02 -0.238838D+02  0.244691D+01 -0.290161D+02
      4  -0.707220D+01  0.514968D+02 -0.163617D+01 -0.134124D+02 -0.332267D+02
      5  -0.368816D+01 -0.139334D+01 -0.141779D+02 -0.774496D+01 -0.160860D+02
      6  -0.127239D+01 -0.607066D+01 -0.779563D+00 -0.950353D+00 -0.107241D+01
               221           222           223           224           225 
      1  -0.104592D+02 -0.209794D+02 -0.538177D+01 -0.163602D+02  0.220999D+01
      2   0.460374D+01  0.193129D+01 -0.214051D+01  0.222587D+01  0.125231D+01
      3   0.585548D+01  0.190482D+02  0.752228D+01  0.141344D+02 -0.346230D+01
      4  -0.220567D+02 -0.977017D+01 -0.132112D+02 -0.102540D+02 -0.482133D+02
      5  -0.107936D+02 -0.712383D+02 -0.241897D+02 -0.499502D+02  0.215760D+02
      6  -0.124099D+01 -0.145696D+02 -0.105243D+02 -0.113904D+02  0.760897D+01
               226           227           228           229           230 
      1  -0.521370D+01  0.140584D+02 -0.421529D+00  0.533354D+01 -0.488356D+02
      2   0.627504D+01 -0.139292D+02  0.496698D+00 -0.468450D+01  0.609935D+02
      3  -0.106133D+01 -0.129174D+00 -0.751693D-01 -0.649040D+00 -0.121579D+02
      4   0.141074D+01  0.435834D+01 -0.793499D+00  0.291064D+01  0.190389D+02
      5   0.233296D+00 -0.111358D+01  0.127016D+01 -0.222677D+00  0.104715D+01
      6  -0.208353D+00 -0.320750D+00 -0.137828D+01  0.362235D+00 -0.308432D+01
               231           232           233           234           235 
      1   0.390398D+01  0.275879D+00  0.327582D+01 -0.129574D+01  0.451940D+02
      2  -0.391908D+01 -0.130059D+00 -0.438906D+01  0.185818D+01 -0.178939D+02
      3   0.150961D-01 -0.145820D+00  0.111324D+01 -0.562437D+00 -0.273001D+02
      4  -0.132639D+01 -0.568444D+00 -0.265345D+01 -0.144085D+01  0.321905D+02
      5   0.162034D+01  0.172712D+01 -0.100021D+01 -0.154636D+00 -0.849611D+01
      6   0.694886D+01 -0.521126D-01  0.214471D+01 -0.784974D+00 -0.315721D+01
               236           237           238           239           240 
      1   0.124941D+02 -0.596631D+01  0.146108D+02  0.823976D+01 -0.172388D+01
      2  -0.565157D-01  0.246454D+01  0.387265D+01  0.102219D+02 -0.673441D+00
      3  -0.124376D+02  0.350177D+01 -0.184834D+02 -0.184617D+02  0.239732D+01
      4   0.253288D+02 -0.544120D+01  0.384947D+02  0.396929D+02 -0.716720D+01
      5  -0.386410D+01  0.437839D+01 -0.584771D+01 -0.487609D+01  0.569159D+01
      6  -0.251387D+01  0.219662D+01 -0.411780D+01 -0.451166D+01  0.485336D+01
               241           242           243           244           245 
      1  -0.745055D+01 -0.234272D+01 -0.454964D+00  0.792662D+00 -0.613123D+01
      2   0.179211D+01 -0.750158D+00  0.998165D+00  0.482291D+01 -0.245475D+01
      3   0.565844D+01  0.309288D+01 -0.543201D+00 -0.561557D+01  0.858598D+01
      4  -0.812541D+01 -0.685251D+01  0.245466D+01 -0.193393D+02  0.210345D+02
      5  -0.849179D+00  0.142947D+01 -0.114491D+01  0.244355D+01 -0.132334D+01
      6  -0.642005D+00  0.163137D+01 -0.928087D+00 -0.842570D+00  0.335622D-01
               246           247           248           249           250 
      1   0.101337D+01 -0.311998D+01 -0.153398D+02  0.109570D+01  0.595177D+00
      2  -0.484751D+00 -0.879739D+01  0.330809D+02 -0.911957D+00  0.601771D-01
      3  -0.528615D+00  0.119174D+02 -0.177411D+02 -0.183739D+00 -0.655354D+00
      4  -0.259484D+00  0.285412D+02 -0.538868D+02  0.305012D+01 -0.102606D+01
      5   0.293334D+01 -0.293477D+01  0.626155D+01 -0.597050D+01  0.177347D+01
      6  -0.167813D+01  0.161653D+01 -0.331267D+01  0.638523D+01 -0.233387D+01
               251           252           253           254           255 
      1   0.238038D+01 -0.124456D+01 -0.147464D+01  0.128422D+01 -0.120836D+02
      2  -0.272118D+01  0.236784D+01 -0.426455D+00 -0.585223D+00  0.448253D+01
      3   0.340800D+00 -0.112327D+01  0.190109D+01 -0.699002D+00  0.760107D+01
      4   0.369146D+01 -0.114590D+01 -0.634653D+00 -0.530386D+00 -0.145124D+01
      5  -0.328930D+00  0.176628D+00 -0.923610D+01 -0.897270D+00 -0.102205D+01
      6   0.227192D+01 -0.796545D+00 -0.158784D+01  0.486995D+00 -0.124594D+01
               256           257           258           259           260 
      1   0.113225D+02  0.266341D+01 -0.323654D+00 -0.333496D+02 -0.501227D+00
      2  -0.701519D+01 -0.651961D+00  0.279169D+01  0.230922D+02  0.307572D+01
      3  -0.430735D+01 -0.201145D+01 -0.246803D+01  0.102574D+02 -0.257449D+01
      4   0.202515D+02  0.243714D+02 -0.201361D+02 -0.153981D+02 -0.208848D+02
      5  -0.143414D+02 -0.196637D+02  0.345250D+02  0.385286D+02  0.306606D+02
      6  -0.505400D+01 -0.826977D+01  0.116726D+02  0.861251D+01  0.111599D+02
               261           262           263           264           265 
      1   0.228807D+01  0.191988D+02  0.786826D+01  0.128383D+02  0.272863D+02
      2  -0.155166D+02 -0.849411D+01 -0.284746D+01 -0.622858D+01 -0.105691D+02
      3   0.132286D+02 -0.107047D+02 -0.502081D+01 -0.660973D+01 -0.167172D+02
      4   0.296929D+02  0.956700D+01  0.752526D+01  0.738399D+01  0.349299D+02
      5  -0.678460D+02  0.154038D+02  0.702633D+01  0.370465D+01  0.193987D+02
      6  -0.148910D+02  0.322887D+01  0.809989D+00 -0.200391D+00  0.486180D+01
               266           267           268           269           270 
      1   0.143731D+02  0.969856D+01  0.447112D+02  0.123282D+02  0.100982D+02
      2   0.201874D-01 -0.962643D+00 -0.217591D+02 -0.293666D+01 -0.709332D+01
      3  -0.143933D+02 -0.873592D+01 -0.229521D+02 -0.939154D+01 -0.300487D+01
      4   0.411032D+02  0.236094D+02  0.258377D+02  0.289598D+02  0.285312D+02
      5   0.248372D+02  0.316268D+02  0.315453D+02  0.302665D+02  0.414659D+02
      6   0.646008D+01  0.802069D+01  0.785613D+01  0.842035D+01  0.814971D+01
               271           272           273           274           275 
      1   0.180023D+03 -0.332459D+02 -0.116133D+02 -0.747276D+02  0.259040D+02
      2  -0.942498D+02  0.175904D+02  0.730376D+01  0.387459D+02 -0.121694D+02
      3  -0.857730D+02  0.156555D+02  0.430952D+01  0.359817D+02 -0.137346D+02
      4  -0.369567D+02  0.205253D+02  0.378175D+01  0.329143D+02 -0.230827D+02
      5  -0.160198D+02  0.407127D+01  0.179116D+02  0.814386D+01 -0.174291D+01
      6   0.334425D+01 -0.156609D+01 -0.657427D+00 -0.265235D+01  0.200693D+01
               276           277           278           279 
      1   0.604435D+01 -0.718795D+01  0.284170D+01  0.150549D+02
      2  -0.345429D+01  0.534874D+01 -0.124981D+01 -0.919743D+01
      3  -0.259006D+01  0.183921D+01 -0.159189D+01 -0.585751D+01
      4  -0.169704D+01  0.324290D+01  0.291974D+00 -0.500485D+00
      5  -0.671928D+01  0.228822D+02 -0.366234D+00 -0.575230D+01
      6   0.206080D+01 -0.114862D+01  0.257500D+01  0.160979D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200658D+03      0.297345D+02      0.330840D+02
   aniso      0.170833D+03      0.253148D+02      0.281665D+02
   xx         0.307267D+03      0.455323D+02      0.506616D+02
   yx         0.139214D+02      0.206295D+01      0.229534D+01
   yy         0.174484D+03      0.258558D+02      0.287685D+02
   zx        -0.156652D+02     -0.232135D+01     -0.258285D+01
   zy        -0.533779D+01     -0.790978D+00     -0.880082D+00
   zz         0.120223D+03      0.178152D+02      0.198221D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200658D+03      0.297345D+02      0.330840D+02
   aniso      0.170833D+03      0.253148D+02      0.281665D+02
   xx         0.150821D+03      0.223493D+02      0.248670D+02
   yx         0.183159D+02      0.271414D+01      0.301988D+01
   yy         0.170950D+03      0.253321D+02      0.281858D+02
   zx        -0.669986D+02     -0.992817D+01     -0.110466D+02
   zy        -0.752944D+01     -0.111575D+01     -0.124144D+01
   zz         0.280204D+03      0.415219D+02      0.461994D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-34\Freq\RwB97XD\Gen\C14H14O3\PIERPA\13-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.647466,-
 0.507821,-0.190768\C,-1.077854,0.84889,-0.283737\C,0.729812,-0.810631,
 -0.325382\C,1.666014,0.171296,-0.544574\C,1.224426,1.518888,-0.634141\
 C,-0.095519,1.847305,-0.510964\C,-1.620346,-1.504235,0.030174\H,1.0284
 17,-1.849396,-0.26248\H,1.958991,2.296811,-0.80478\H,-0.409397,2.88097
 3,-0.586908\C,3.149491,-0.109147,-0.638141\C,3.513374,-1.523377,-1.111
 89\C,3.892002,0.146002,0.683653\H,3.589494,0.601618,-1.339688\H,3.0362
 71,-1.735553,-2.068831\H,3.199758,-2.28418,-0.395852\H,4.592748,-1.602
 696,-1.229908\O,5.06206,0.400852,0.731679\O,3.167488,0.013457,1.81544\
 H,2.235282,-0.131723,1.586956\C,-2.950314,-1.190901,0.157052\C,-3.3705
 58,0.155926,0.065064\C,-2.444381,1.152719,-0.152345\O,-4.667931,0.5451
 68,0.179928\C,-5.662349,-0.440795,0.404455\H,-1.305354,-2.538205,0.101
 013\H,-3.66832,-1.97899,0.326462\H,-2.783917,2.177944,-0.220901\H,-5.4
 93272,-0.973311,1.344574\H,-5.705913,-1.160181,-0.418101\H,-6.60572,0.
 096347,0.461347\\Version=ES64L-G16RevA.03\State=1-A\HF=-767.9700273\RM
 SD=3.208e-09\RMSF=2.860e-06\ZeroPoint=0.2508032\Thermal=0.2660103\Dipo
 le=-2.3010551,-0.7985107,-0.6741194\DipoleDeriv=-0.1303578,-0.0352295,
 0.0310331,0.1325657,-0.1907823,-0.0033092,-0.0020225,0.025154,-0.01156
 74,0.429264,0.004032,-0.0463797,-0.0496281,-0.1147419,0.023268,-0.0527
 045,0.0114308,0.028018,0.0988714,0.0755061,-0.0490838,-0.0140984,0.048
 9155,0.0180195,-0.0733451,0.0056743,-0.1300406,0.109134,-0.1232844,0.0
 300532,-0.1275968,-0.0948701,-0.0303124,-0.0361158,-0.0200264,-0.15378
 4,-0.1592365,0.0574376,-0.0045938,0.031335,0.1139687,-0.0381454,-0.006
 8505,-0.0256329,-0.1177689,-0.0790246,0.0035764,-0.0095839,-0.0075783,
 0.1495867,-0.029403,-0.0094967,-0.0291251,-0.1144729,0.2029804,0.10303
 54,-0.0495427,0.0307866,0.1587083,-0.0266633,-0.0391526,-0.0419184,-0.
 0955076,0.0759331,0.0122156,-0.001301,0.0732697,-0.0593869,0.0076592,-
 0.0023338,0.0112382,0.1093169,-0.0148621,-0.0835494,0.0289936,-0.07260
 81,0.0102214,0.0192949,0.0299487,0.0197152,0.115578,0.0302637,0.068171
 1,0.00142,0.0275794,-0.0659428,0.0190498,0.0110096,0.0143603,0.1177546
 ,0.1265199,-0.0481798,-0.0942847,-0.1015196,0.0790188,-0.087871,-0.256
 478,-0.0717977,-0.0952224,-0.0659901,0.0178049,-0.0354249,-0.0004712,0
 .0726619,0.0402696,-0.0025881,-0.026919,0.0776527,1.8743972,0.3379054,
 -0.0871049,0.4844879,0.2749811,0.00738,0.0313559,0.1096614,1.2651319,-
 0.0486898,-0.013235,0.0111775,-0.0080118,-0.0313662,0.0591972,0.034554
 1,0.0337931,0.0112878,0.0512481,-0.0251224,-0.0870724,-0.0102392,0.016
 3573,-0.0415741,-0.0722417,-0.0430852,-0.0762409,0.0707949,-0.0656611,
 0.0462056,-0.0240919,-0.0317908,0.0374479,0.0522136,0.0780734,-0.03241
 16,-0.1153143,0.0505998,0.0396929,0.0290541,0.0577147,-0.004196,0.0175
 771,-0.0089703,0.0808493,-1.4955782,-0.1981428,-0.0286609,-0.2880028,-
 0.3847072,-0.0150639,-0.2666531,-0.0649201,-0.5532431,-0.9124473,-0.05
 41983,0.2019284,-0.1004046,-0.283499,0.0425579,0.3259944,0.017872,-0.9
 266391,0.3845859,-0.0390405,0.0464004,-0.0322723,0.2056242,-0.0000051,
 0.2483769,-0.0099391,0.361393,-0.390984,-0.0484635,0.0261563,0.3192651
 ,0.021731,-0.0540571,-0.0050362,-0.0128618,-0.1596072,1.9797438,-0.032
 0865,-0.2032474,-0.5051122,0.0464757,0.0600157,-0.1741204,0.00872,0.10
 73769,-0.5583277,-0.0132515,0.0404078,-0.3150722,0.0592165,0.0055235,0
 .0821173,-0.0217304,-0.1722594,-2.368641,-0.2461349,0.2512284,0.103906
 ,-0.3913176,0.0058318,0.2443742,0.0451128,-0.2762881,0.9276779,0.20834
 98,-0.0861074,0.6261252,0.4638257,-0.0816765,-0.1391799,-0.0399728,0.3
 431011,0.0390052,0.0664482,0.0032271,0.0276874,-0.0642121,0.0150105,0.
 0064216,0.0113261,0.115963,0.0074129,-0.0668969,0.0214205,-0.0911015,0
 .0172298,0.0229899,0.0249528,0.0208275,0.1320866,0.0494878,0.0171752,0
 .0080207,0.0595674,-0.034001,0.0122362,0.004672,0.0162436,0.1342315,0.
 0025502,0.0258482,-0.0653551,-0.1364888,-0.0205208,0.0827247,0.0263554
 ,0.0839076,-0.0990903,0.0091212,0.0142778,0.0386255,-0.159045,-0.05568
 39,-0.0611816,-0.01748,-0.0991463,-0.0721548,-0.1295383,0.0300929,0.02
 17516,0.0977133,0.0265855,-0.0050174,0.0158753,0.0029351,0.0865568\Pol
 ar=281.2988503,10.6827438,160.1904902,-14.1450208,-4.6720672,110.31329
 46\Quadrupole=-6.9050158,8.4148486,-1.5098327,1.2771856,-9.7740942,-1.
 6520337\PG=C01 [X(C14H14O3)]\NImag=0\\0.68388492,0.01001421,0.63553507
 ,-0.06452829,-0.05160491,0.17002727,-0.14891063,0.03097021,0.00514279,
 0.68911134,0.03359075,-0.24144711,0.01325357,0.00307889,0.62996915,0.0
 0495016,0.01396455,-0.07828232,-0.06345216,-0.05053334,0.17775230,-0.2
 6060418,0.04050891,0.01969927,0.00580199,0.05195273,-0.00563641,0.6484
 7693,0.06598613,-0.12614765,-0.00095189,0.04016691,0.00172293,-0.00441
 640,0.01219989,0.73678708,0.01755252,0.00155104,-0.06550117,-0.0042060
 4,-0.00567427,0.00591355,-0.06318631,-0.06068563,0.14915646,-0.0472557
 5,-0.02308712,0.00819688,0.00063066,-0.00844113,-0.00017060,-0.2337107
 3,-0.13960178,0.03476998,0.63666263,-0.05486784,0.02177563,0.00446945,
 -0.02783865,-0.03808634,0.00674524,-0.08876946,-0.24908154,0.02885018,
 0.04871601,0.63733200,0.01265943,0.00063805,0.00449058,0.00246192,0.00
 478003,-0.00669836,0.02950679,0.03585616,-0.06882959,-0.04837845,-0.05
 398194,0.19017575,-0.02927748,0.01091650,0.00151242,-0.06159194,-0.033
 25736,0.01180580,0.04544562,-0.00560314,-0.00496455,-0.12977169,0.0095
 8663,0.00708842,0.74541259,0.03298121,-0.00940392,-0.00328154,-0.00269
 838,0.03907353,-0.00335379,-0.04193139,-0.05553993,0.01203424,0.069071
 83,-0.24990971,0.01088213,0.02593701,0.63987462,-0.00029900,-0.0009929
 2,-0.00539075,0.00863421,0.00077645,0.00443774,-0.00039777,0.00762043,
 0.00825424,-0.00014198,0.01961917,-0.06769964,-0.07467653,-0.05905358,
 0.14700086,0.04702140,-0.01949067,-0.00252377,-0.16927177,-0.06425419,
 0.01924800,-0.04479753,-0.01675408,0.00717834,-0.00704359,0.07576341,-
 0.00718661,-0.37620113,0.03405808,0.03374724,0.70599176,-0.01069438,-0
 .03616240,0.00595118,-0.08992969,-0.21231593,0.02665568,-0.00902732,-0
 .00459158,0.00186591,0.03658821,0.00025311,-0.00340170,0.08984793,-0.1
 4337257,-0.00159701,-0.06680212,0.69443485,-0.00374354,0.00690903,0.00
 595676,0.02223594,0.02371207,-0.07197965,0.00603442,0.00222855,-0.0038
 9779,-0.00262535,-0.00822928,0.00807564,0.02842355,0.00513172,-0.06141
 161,-0.06171146,-0.05370573,0.14518595,-0.17495530,-0.06864787,0.02074
 262,0.04838544,-0.02297932,-0.00245709,-0.06213701,-0.03205515,0.01080
 808,0.00349024,0.02651907,-0.00300413,0.01126166,-0.01476629,-0.000070
 10,-0.01342744,-0.00152360,0.00231122,0.69628593,-0.09708929,-0.218385
 43,0.02788122,-0.00668795,-0.04033589,0.00582523,-0.01452245,0.0086870
 4,0.00099348,0.00709735,0.01086789,-0.00150538,0.00597300,-0.00692726,
 -0.00015218,-0.00238575,-0.00640299,0.00143835,-0.05319280,0.69914641,
 0.02375189,0.02436849,-0.06942316,-0.00430926,0.00780818,0.00635866,0.
 00897430,0.00300166,0.00099387,-0.00030933,-0.00352740,0.00612218,-0.0
 0199314,0.00238371,-0.00084078,0.00228399,0.00125996,0.00392768,-0.062
 38370,-0.05342200,0.14266575,-0.00534850,0.02996814,-0.00195122,-0.005
 22945,-0.00023771,0.00129814,-0.07938916,0.07269897,-0.00185848,0.0113
 5312,-0.02019253,0.00098873,-0.00282495,-0.00285659,0.00168353,-0.0008
 3818,-0.00039757,-0.00000616,0.00144759,0.00156192,-0.00071744,0.08332
 416,0.00144165,-0.00505588,0.00071377,0.00084382,0.00171980,0.00021044
 ,0.07202123,-0.30946313,0.01710476,0.00740681,-0.01904318,0.00117259,-
 0.00418728,-0.00103199,0.00122924,-0.00022990,0.00046614,-0.00009714,-
 0.00182186,0.00087591,-0.00012989,-0.08019004,0.33189671,0.00070026,-0
 .00254899,0.00323684,0.00107186,0.00036254,0.00510738,-0.00150873,0.01
 594187,-0.03742831,-0.00113193,0.00547273,0.00366798,0.00181170,0.0013
 8247,0.00726716,-0.00001436,-0.00016135,-0.00083712,-0.00029078,-0.000
 55160,-0.00290880,0.00053099,-0.01902007,0.02667460,-0.00041815,0.0004
 1920,-0.00013015,-0.00421929,0.00333715,0.00127589,0.00016076,0.002348
 58,0.00036258,0.00835906,0.00726668,-0.00131028,-0.18317706,-0.1324208
 8,0.03178041,-0.01731540,-0.02423097,0.00489354,0.00035692,0.00000893,
 -0.00011913,0.00033621,0.00054342,-0.00010930,0.19465353,0.00085073,0.
 00009734,-0.00017861,0.00255774,0.00061425,0.00064710,0.00346043,-0.00
 463313,0.00065151,-0.02148368,-0.01779428,0.00486129,-0.13263870,-0.20
 078620,0.03355327,0.00660912,0.00925320,-0.00146366,-0.00025116,-0.000
 02103,-0.00005129,-0.00115131,-0.00094004,0.00027273,0.14283352,0.2117
 1687,-0.00011288,-0.00014036,-0.00080925,0.00137804,0.00055712,0.00925
 632,-0.00003607,0.00070404,0.00440619,0.00231492,0.00115560,0.00203009
 ,0.03145780,0.03379893,-0.04353533,0.00177058,0.00220610,0.00266707,-0
 .00009944,-0.00007644,-0.00062074,0.00014783,0.00012573,0.00038131,-0.
 03556803,-0.03720664,0.03326280,-0.00274645,-0.00245321,0.00121177,0.0
 0933014,-0.02079437,0.00156954,-0.00092817,-0.00046531,0.00005258,-0.0
 0500845,-0.00000054,0.00148048,-0.00490788,0.03132158,-0.00247835,-0.0
 8107435,0.07514091,-0.00272978,0.00037598,-0.00109001,0.00006014,0.000
 08192,0.00007162,-0.00014734,0.00096032,-0.00037953,-0.00065851,0.0829
 8574,-0.00383806,-0.00075518,0.00108314,0.00857724,-0.01838444,0.00137
 673,-0.00069917,0.00042823,-0.00006483,0.00119588,0.00209698,0.0006550
 4,0.00051858,-0.00370058,0.00071491,0.07541890,-0.30991623,0.02111739,
 0.00101284,-0.00083638,-0.00003853,0.00005844,-0.00009691,-0.00011159,
 0.00018863,0.00083301,-0.00066492,-0.08229103,0.32918995,0.00136119,0.
 00090350,0.00462370,-0.00169961,0.00491897,0.00306962,0.00008202,-0.00
 013501,-0.00076542,0.00167857,0.00057064,0.00861029,0.00093980,-0.0028
 4085,0.00356724,-0.00278325,0.02113787,-0.03775902,-0.00017064,0.00022
 355,-0.00005514,-0.00014580,-0.00009963,-0.00108158,-0.00071787,-0.000
 59227,-0.00483655,0.00197707,-0.02363354,0.02690505,0.00092884,-0.0018
 1647,0.00106271,-0.00253484,-0.00127603,0.00049706,-0.02509316,-0.0010
 6778,0.00356648,-0.18077280,0.01594668,0.00854245,-0.01681531,0.011995
 57,0.00148048,0.00497660,0.00006106,0.00054352,0.00008213,0.00036376,-
 0.00010013,0.00061168,0.00154388,-0.00090817,0.00064271,-0.00204569,-0
 .00068373,0.00017685,-0.00018926,-0.00010667,0.49827320,-0.00257977,-0
 .00414196,0.00044858,-0.00031592,-0.00068332,0.00014323,-0.02136320,0.
 01111171,0.00063321,0.01568678,-0.09361252,0.00489912,0.03388601,-0.00
 506617,-0.00133036,0.00059457,-0.00519006,0.00159517,-0.00076083,0.000
 88106,0.00003313,0.00026641,-0.00037925,-0.00036984,0.00098136,0.00094
 809,-0.00092889,0.00133558,-0.00030527,-0.00027595,0.03153072,0.492365
 89,0.00081191,0.00176764,0.00889910,-0.00051637,-0.00064040,-0.0008565
 5,0.00641845,-0.00095131,0.00268019,0.01536196,-0.00007610,-0.07588485
 ,-0.00259882,0.00029267,0.00311514,0.00167894,0.00129648,0.00410924,0.
 00064852,0.00023383,0.00062499,-0.00072306,-0.00071058,-0.00490099,-0.
 00051878,0.00047740,-0.00192307,-0.00014527,0.00007246,0.00014388,-0.0
 5717647,-0.06776510,0.46948503,0.00041424,0.00077828,-0.00042840,0.000
 09147,0.00017370,0.00006438,-0.00072629,0.00053472,0.00089792,-0.00966
 772,0.03328837,0.01108962,-0.00516642,-0.00107052,0.00126057,-0.000453
 52,0.00152631,-0.00077267,0.00013573,0.00000259,-0.00005178,-0.0013772
 3,0.00110679,0.00026010,0.00012039,0.00026963,0.00009707,-0.00045505,0
 .00013118,-0.00001372,-0.08038544,0.01292253,0.00453076,0.57424551,-0.
 00043096,-0.00070948,0.00023282,0.00010338,-0.00011184,-0.00001123,-0.
 00086098,0.00106408,0.00074769,0.00900243,-0.00583361,-0.00238038,-0.0
 0099779,0.00060749,-0.00107317,0.00005068,0.00011272,0.00000565,0.0000
 2681,0.00020214,-0.00003251,-0.00067135,-0.00012413,0.00010884,-0.0000
 9330,0.00019312,-0.00000997,-0.00005111,0.00005507,0.00010763,0.018516
 58,-0.15666446,-0.01971262,0.03077961,0.46736444,0.00000912,0.00021661
 ,-0.00009865,-0.00001815,0.00015812,-0.00001615,-0.00086889,-0.0008114
 7,0.00017150,0.00175879,-0.00204894,-0.00086959,-0.00056479,0.00054339
 ,0.00037587,-0.00050543,-0.00011083,0.00015876,-0.00011012,-0.00005681
 ,-0.00006784,0.00066869,0.00009916,0.00030047,-0.00004494,-0.00035848,
 -0.00002016,-0.00004924,0.00003350,-0.00002650,0.01031302,-0.03045467,
 -0.08164370,0.01491712,-0.03381854,0.55864610,-0.00145374,0.00002858,0
 .00162739,-0.00014185,-0.00025696,-0.00026974,-0.00030281,0.00077736,0
 .00251277,-0.02553024,-0.00433438,-0.02285264,0.00094701,0.00075537,0.
 00039259,-0.00065330,-0.00011092,0.00086319,0.00009306,-0.00009651,0.0
 0011098,-0.00025656,-0.00041067,-0.00129328,0.00017706,0.00016173,-0.0
 0036252,0.00015282,-0.00008148,-0.00012254,-0.08366723,0.00138983,-0.0
 2255085,0.00702944,-0.00749669,0.00319276,0.97404880,0.00073054,-0.000
 26414,-0.00025847,0.00035753,0.00069136,-0.00001058,-0.00144626,-0.000
 88352,0.00086254,0.00043772,0.00081237,0.00675215,0.00274206,0.0004718
 7,-0.00078373,-0.00084225,-0.00061099,-0.00034846,-0.00052046,-0.00037
 836,0.00000643,-0.00015411,-0.00012979,-0.00005013,0.00005925,-0.00047
 682,0.00054158,0.00014591,-0.00007518,0.00002878,0.00054043,-0.0840220
 7,-0.00372737,-0.01430039,-0.01111759,-0.03509388,0.15960360,0.2659192
 9,0.00220175,0.00068111,-0.00163624,0.00117906,0.00102214,0.00020701,0
 .00391063,0.00001267,-0.00535561,-0.01738469,0.00622907,0.00693211,0.0
 0414617,-0.00278471,-0.00133915,-0.00126357,-0.00081002,-0.00016633,-0
 .00041501,-0.00076661,-0.00003823,-0.00018606,0.00047034,0.00166470,-0
 .00048553,0.00053750,0.00041372,0.00039848,-0.00021220,0.00014466,-0.0
 2108859,-0.00401778,-0.12700340,0.00130197,-0.01667526,-0.01434423,0.0
 2018735,0.01575993,0.50691786,-0.00072622,-0.00123563,-0.00110889,0.00
 027964,-0.00008928,0.00014385,-0.00372940,0.00330683,0.00089780,-0.018
 55646,-0.02053514,0.02096628,0.00110554,-0.00222034,-0.00056516,-0.000
 27568,0.00005809,-0.00020460,-0.00028613,0.00027050,-0.00015399,0.0002
 4672,-0.00004695,0.00044680,0.00030880,0.00104926,0.00015226,0.0000242
 4,0.00001429,0.00002154,-0.08847569,-0.06771293,0.06864066,0.00285257,
 0.00666341,-0.00499442,0.00525348,0.01049145,-0.00890472,0.10220497,0.
 00039785,0.00011973,0.00031263,0.00035208,0.00030166,-0.00016617,0.000
 71842,0.00003288,0.00008998,0.00074105,0.00367404,-0.00397858,0.002210
 13,0.00026235,-0.00093287,-0.00067759,0.00009676,-0.00035071,-0.000127
 53,-0.00010957,0.00007468,0.00017474,0.00003524,-0.00015441,0.00008510
 ,0.00012257,0.00033918,-0.00002720,0.00000123,0.00006078,-0.06680000,-
 0.15318774,0.11211193,-0.00988913,-0.02486649,0.01925571,-0.00047280,0
 .00329075,-0.00477006,0.07046283,0.17244660,-0.00055335,0.00008778,0.0
 0001065,-0.00027930,-0.00020961,0.00007877,0.00024233,-0.00017400,0.00
 001405,-0.00042494,0.00016448,0.00076754,-0.00051183,0.00084248,0.0005
 6013,0.00029100,-0.00029083,0.00007762,0.00017063,0.00005923,-0.000078
 92,0.00007327,-0.00004541,0.00003908,0.00015325,-0.00064824,-0.0000433
 5,0.00002379,0.00000340,-0.00004344,0.06700377,0.11042092,-0.15449259,
 -0.00446726,-0.00810460,0.00816351,0.01287959,0.02168429,-0.02548081,-
 0.07211274,-0.11704812,0.17097564,-0.00008235,-0.00008170,-0.00008933,
 0.00000396,-0.00001841,0.00001535,-0.00001796,0.00008719,-0.00007294,0
 .00091481,0.00005835,0.00062138,0.00015153,0.00005548,-0.00006909,0.00
 008494,-0.00002466,-0.00000356,0.00000429,-0.00000746,0.00001129,-0.00
 009500,-0.00009318,0.00035803,0.00000186,-0.00003352,0.00000804,0.0000
 2271,-0.00001460,-0.00000752,0.00252211,0.00327510,0.00866967,-0.09887
 570,-0.02256375,-0.10346868,-0.00214684,0.00137755,-0.00027631,-0.0000
 7924,-0.00054734,-0.00037648,0.10333786,0.00022194,0.00000470,-0.00004
 372,0.00013362,0.00015210,-0.00002646,0.00017461,0.00028076,-0.0000463
 1,-0.00110321,0.00153888,0.00056486,0.00006089,-0.00023648,0.00041692,
 -0.00026039,0.00001248,-0.00000493,-0.00006224,-0.00003302,-0.00002107
 ,0.00012646,-0.00004124,0.00001039,-0.00003172,0.00001810,-0.00003856,
 -0.00001775,-0.00000577,-0.00004339,-0.01303909,-0.00949998,-0.0294571
 7,-0.02148997,-0.05436624,-0.04050765,0.00377154,-0.00612473,0.0020800
 9,-0.00057522,0.00129900,0.00048685,0.02245740,0.06098063,0.00031884,0
 .00016852,0.00003422,0.00008152,0.00012838,-0.00006342,0.00011122,-0.0
 0013252,0.00043009,-0.00078239,0.00053235,0.00061734,0.00038149,-0.000
 26226,0.00009037,-0.00024106,0.00001836,-0.00000362,-0.00006330,-0.000
 07202,0.00003088,0.00002321,0.00021911,-0.00048422,-0.00001295,0.00007
 666,-0.00001654,0.00000306,-0.00000412,-0.00002008,-0.00338538,-0.0030
 1124,-0.00881349,-0.10246281,-0.04160480,-0.25190889,0.00102973,-0.001
 76030,0.00162801,0.00008272,-0.00016223,0.00063989,0.11319031,0.047952
 98,0.27161780,-0.00003244,-0.00007747,0.00006033,-0.00004702,-0.000008
 77,-0.00000425,-0.00071906,0.00047001,-0.00013084,0.00025717,-0.000310
 34,-0.00043483,-0.00003634,0.00001773,0.00005482,0.00002433,-0.0000881
 0,-0.00001026,0.00002153,0.00002635,-0.00000202,-0.00188674,0.00072174
 ,0.00013034,0.00001944,-0.00008965,0.00002760,0.00001338,-0.00000884,-
 0.00000379,0.00216526,0.00496210,-0.00627315,-0.06986138,-0.05283003,0
 .05103411,0.00033320,-0.00095818,0.00027733,0.00028420,0.00162360,0.00
 050520,0.00411612,0.01105187,-0.00945124,0.07325823,0.00033246,0.00057
 836,-0.00005743,-0.00006323,0.00005938,0.00004310,-0.00027839,-0.00053
 291,-0.00014700,-0.00127647,0.00094288,0.00017478,0.00028525,-0.000282
 23,-0.00008578,-0.00006720,0.00011901,-0.00000367,-0.00001594,-0.00006
 952,-0.00001166,0.00067779,0.00078433,-0.00005717,0.00000179,0.0002603
 1,-0.00000868,0.00001622,-0.00000754,0.00000507,-0.01019887,-0.0226881
 9,0.01876665,-0.05217255,-0.16962917,0.11826824,-0.00005271,0.00015908
 ,0.00382381,0.00198714,-0.00489463,-0.00280101,0.00263824,0.00479826,-
 0.00404438,0.05776272,0.18836499,-0.00008576,-0.00048789,0.00001996,0.
 00016964,0.00004319,-0.00001653,0.00065159,0.00092773,-0.00024358,0.00
 026724,0.00052529,0.00013581,-0.00009666,-0.00012132,-0.00000832,-0.00
 001703,0.00002254,-0.00001779,-0.00002736,0.00004704,-0.00000632,0.000
 24122,-0.00065814,0.00038531,-0.00001446,0.00000854,0.00000501,-0.0000
 1201,-0.00000578,0.00000133,-0.00466157,-0.00808464,0.00786587,0.05060
 297,0.11973960,-0.16433044,-0.00052361,-0.00023259,0.00123472,0.000565
 60,-0.00284045,0.00023153,0.00952307,0.01933604,-0.01803511,-0.0575103
 5,-0.12970423,0.17498351,0.00008952,0.00012656,0.00006427,0.00006948,0
 .00004463,-0.00000557,0.00025224,-0.00008693,0.00000223,0.00094513,0.0
 0106742,0.00004218,-0.00027949,-0.00024911,0.00027826,-0.00011314,0.00
 014562,-0.00003720,0.00000088,0.00002030,-0.00000144,0.00005508,0.0002
 2768,-0.00017268,0.00000320,0.00003429,0.00000588,-0.00004612,0.000006
 02,-0.00002054,-0.00664202,0.00107701,0.00106110,-0.31301680,0.0173754
 2,0.02944056,-0.00173175,-0.00038725,-0.00053576,0.00065266,0.00015128
 ,-0.00024698,-0.01181100,0.00045056,0.00165719,-0.00783534,0.00006627,
 0.00079219,0.33791500,0.00017592,0.00039881,0.00000510,-0.00016796,-0.
 00003275,-0.00002495,-0.00062491,-0.00081574,0.00031020,-0.00059786,-0
 .00567057,-0.00226643,0.00157985,0.00023981,-0.00035848,0.00009748,-0.
 00040500,0.00025147,-0.00000278,-0.00008224,0.00003335,0.00008239,0.00
 050489,-0.00007533,-0.00003198,-0.00002742,-0.00005724,0.00014988,-0.0
 0004103,0.00000856,0.03163840,-0.00430439,-0.00443849,0.01393082,-0.04
 668064,-0.00125618,0.00300383,0.00104109,-0.00003560,0.00013427,0.0012
 8611,0.00070118,-0.00569800,-0.00049944,0.00148409,-0.02253510,0.00171
 797,0.00142055,-0.01952103,0.05335655,0.00012298,-0.00015754,0.0000188
 7,0.00009867,0.00007633,-0.00002902,0.00000044,0.00017932,0.00025781,-
 0.00029244,-0.00163400,0.00014555,0.00067611,-0.00007631,0.00010974,-0
 .00013039,-0.00019039,0.00004000,-0.00005338,-0.00003258,0.00002488,-0
 .00031911,-0.00008947,-0.00015576,-0.00001163,-0.00000980,0.00001957,0
 .00004123,-0.00001785,-0.00004097,0.00978709,-0.00077074,-0.00285062,0
 .02726076,-0.00158025,-0.05126792,0.00315915,0.00022898,-0.00037092,-0
 .00054821,0.00032839,0.00051587,-0.02845177,0.00231198,0.00484667,0.02
 221522,-0.00188336,-0.00268761,-0.03182446,0.00322900,0.05108683,0.000
 41794,-0.00015052,0.00066250,0.00036286,0.00002088,-0.00002854,-0.0007
 3707,0.00124821,-0.00144474,0.00118518,-0.00252187,-0.00665009,-0.0008
 3013,-0.00134575,0.00008652,-0.00013393,0.00019376,0.00022759,0.000084
 94,0.00035898,-0.00000060,-0.00001260,0.00003683,-0.00001567,0.0000262
 6,0.00018647,-0.00015863,-0.00018425,0.00010797,0.00004028,-0.03521978
 ,-0.01384108,-0.01298099,-0.00406982,0.00406693,0.00033852,-0.71314840
 ,-0.14025399,-0.06041375,-0.00032452,0.00143886,0.00083562,0.00145791,
 -0.00163958,-0.00030909,-0.00011530,-0.00036342,-0.00007834,0.00132441
 ,-0.00122414,-0.00116673,0.82708523,-0.00004778,0.00006560,0.00031240,
 0.00004090,-0.00013351,-0.00003969,0.00006515,0.00053059,-0.00042398,0
 .00014037,0.00022251,-0.00356040,-0.00093670,-0.00077199,0.00031337,0.
 00002788,0.00030002,0.00015600,0.00011619,0.00013483,0.00001893,0.0000
 1991,0.00002116,-0.00010761,-0.00003902,0.00020204,-0.00022302,-0.0001
 0999,0.00004766,0.00000894,-0.01540201,0.01608151,-0.00298848,0.002033
 24,0.00102339,0.00244962,-0.13812124,-0.10719846,-0.01240546,-0.000869
 97,0.00043004,-0.00270553,-0.00047053,0.00080242,0.00026829,0.00008142
 ,0.00008711,0.00014835,-0.00057146,0.00016761,0.00038833,0.17373440,0.
 07021376,-0.00088818,-0.00026904,0.00081801,-0.00008567,-0.00029753,-0
 .00012297,-0.00117990,0.00087553,0.00145370,0.00032182,-0.00402351,-0.
 00515431,-0.00088506,0.00011872,0.00046133,0.00010572,0.00026262,0.000
 17544,0.00014073,0.00034866,0.00000575,0.00003423,-0.00014155,-0.00061
 039,0.00016441,-0.00006859,-0.00023900,-0.00015071,0.00008369,-0.00003
 427,-0.03432644,-0.00632113,0.00136855,-0.00184790,0.00100261,-0.00025
 797,-0.05004068,-0.01128167,-0.10880245,-0.00051961,-0.00049645,0.0035
 4163,-0.00007128,-0.00081200,-0.00022128,-0.00037270,-0.00089889,-0.00
 005733,-0.00036844,0.00070172,0.00000458,0.02341076,0.00751777,0.10472
 948,0.00134827,0.00003520,-0.00028486,0.00095614,0.00069265,0.00003955
 ,0.00191447,0.00240318,-0.00441449,-0.00645011,0.00012260,-0.00591148,
 0.00135294,-0.00293339,-0.00053453,-0.00096792,-0.00013555,0.00014701,
 -0.00036916,-0.00005537,0.00012270,-0.00009725,0.00001926,0.00067023,-
 0.00007608,0.00026521,0.00012466,-0.00002196,0.00000025,0.00004783,0.0
 0713165,-0.00162109,-0.00103369,0.00022856,-0.00069772,-0.00082768,-0.
 12266076,-0.01292821,0.07380679,0.00013996,0.00012543,-0.00205363,0.00
 023712,0.00013881,0.00011528,-0.00010949,0.00051865,-0.00002753,0.0003
 4948,-0.00061738,-0.00059231,-0.08069589,-0.01900683,0.06419497,0.6273
 0354,0.00084921,0.00004991,-0.00026396,0.00023421,0.00033766,-0.000153
 04,-0.00069654,0.00021008,-0.00091838,-0.00068497,0.00025551,-0.000155
 32,0.00054486,-0.00028676,0.00050203,-0.00092345,0.00023175,0.00034651
 ,-0.00029522,-0.00021136,0.00002594,0.00014023,0.00034984,0.00045334,0
 .00005794,0.00014343,-0.00031101,-0.00003276,0.00001646,-0.00003153,0.
 00012565,0.01927305,-0.00422128,0.00141378,-0.00085118,0.00423857,-0.0
 1277597,-0.05429894,0.01069576,-0.00137410,-0.00037061,-0.00259128,-0.
 00038793,0.00121014,0.00004222,0.00019034,0.00059936,0.00008836,0.0000
 5316,-0.00014344,-0.00042505,-0.01911402,0.01074603,0.01304483,0.09779
 901,0.04418895,-0.00096608,-0.00020298,0.00025063,-0.00024425,-0.00021
 215,-0.00010140,-0.00050393,0.00081378,0.00103286,0.00509968,-0.001347
 40,-0.00403428,-0.00097895,0.00024891,0.00035091,-0.00008482,0.0002368
 5,0.00024883,0.00006465,0.00031346,0.00007479,0.00015912,-0.00026696,-
 0.00064275,0.00019122,-0.00023820,-0.00031788,-0.00016808,0.00009868,-
 0.00008460,0.01835768,0.00561704,-0.03498426,-0.00199258,0.00316337,-0
 .00283140,0.01639133,0.00143149,-0.25106096,-0.00273609,-0.00172744,-0
 .00587887,0.00042777,-0.00215616,-0.00026131,-0.00025905,-0.00130201,0
 .00047100,-0.00000257,0.00022189,0.00014382,0.04879193,0.00921045,0.01
 104930,0.00498019,0.00026075,0.36371517,-0.00149437,0.00014441,0.00031
 335,-0.00074942,-0.00042871,0.00002116,-0.00154146,-0.00205510,0.00173
 681,0.00519745,0.00107810,-0.00010313,-0.00094873,0.00159369,-0.000580
 26,0.00074513,-0.00001788,-0.00022322,0.00025576,-0.00001847,-0.000090
 53,0.00018159,0.00008428,-0.00036123,-0.00000464,-0.00032377,0.0001166
 7,0.00001715,-0.00000147,0.00005082,0.00130477,0.00073999,-0.00275141,
 -0.00072201,0.00036273,-0.00015657,-0.03687288,-0.00529726,0.00236373,
 -0.00053879,-0.00001210,-0.00115946,0.00018618,-0.00034416,-0.00029636
 ,0.00010793,0.00015620,0.00025844,-0.00006978,0.00006515,0.00000639,0.
 00459645,-0.00032333,0.00300118,-0.42904706,-0.06514678,-0.08565566,0.
 45916854,-0.00155949,0.00000760,0.00048411,-0.00030271,-0.00060553,0.0
 0023290,0.00145158,0.00001465,0.00069315,0.00041762,0.00052625,-0.0001
 6362,-0.00040045,-0.00014731,-0.00001974,0.00124404,-0.00044151,-0.000
 41298,0.00057506,0.00040879,-0.00005790,-0.00018503,-0.00068507,-0.000
 86173,-0.00006973,-0.00016007,0.00016001,0.00001471,0.00000508,0.00006
 095,-0.00017473,-0.00085435,-0.00031555,-0.00003534,0.00043669,-0.0008
 0156,-0.00547006,-0.00667374,0.00099936,0.00010127,0.00001230,0.000264
 44,0.00003344,-0.00028635,0.00012044,0.00003425,-0.00046936,-0.0000855
 1,-0.00003794,-0.00008660,0.00013484,-0.00093901,0.00695142,0.00069878
 ,-0.06409104,-0.02160095,-0.01409180,0.06965852,0.02381472,-0.00079866
 ,0.00010145,0.00025371,-0.00077163,-0.00065104,0.00013573,-0.00190691,
 -0.00213116,0.00058216,0.00127619,0.00056522,-0.00107429,-0.00143640,0
 .00255868,-0.00030262,0.00139322,-0.00000007,-0.00030532,0.00037633,-0
 .00010589,-0.00008722,0.00000031,0.00004072,-0.00012259,-0.00003664,-0
 .00019441,0.00013945,0.00011678,-0.00006646,0.00002201,0.00158250,-0.0
 0043956,-0.00399304,-0.00029563,-0.00012075,-0.00019550,0.03593242,0.0
 0627118,0.01641920,-0.00022255,-0.00001429,0.00040611,0.00005364,-0.00
 002204,-0.00007172,0.00014426,-0.00006092,0.00004327,-0.00013003,0.000
 18577,0.00020081,0.00877813,0.00166136,-0.00809906,-0.12864852,-0.0206
 7085,-0.07713416,0.08352313,0.01303158,0.07327812,-0.06189649,-0.03562
 517,0.01169038,-0.03075297,0.01487599,0.00165198,0.01998855,0.00001011
 ,-0.00171673,-0.00451142,-0.01657043,0.00254264,-0.01027808,0.01078037
 ,0.00024157,0.01113080,0.00527233,-0.00201091,-0.36222223,0.08460080,0
 .02822323,0.00015425,0.00050449,-0.00010702,-0.00019408,0.00011447,0.0
 0003555,0.00031585,-0.00008379,-0.00004593,-0.00047522,-0.00037847,-0.
 00044541,-0.00008928,-0.00012111,0.00003343,0.00032510,0.00050403,0.00
 090827,-0.00007646,0.00013523,-0.00013712,0.00001514,0.00004840,0.0000
 5477,0.00001321,0.00004357,0.00001020,-0.00003680,0.00005545,0.0000552
 9,-0.00042999,-0.00016684,-0.00035486,0.00011274,0.00020917,-0.0003594
 1,-0.00008833,-0.00041787,0.00007647,0.73497476,-0.00084636,0.03766289
 ,-0.00306419,0.02775712,-0.01154194,-0.00245992,-0.01788764,-0.0065521
 9,0.00322150,0.00298049,0.01385269,-0.00199727,0.00855249,-0.01029690,
 -0.00004161,-0.01179266,-0.00472915,0.00187676,0.02687326,-0.13824125,
 0.00556917,-0.00039715,-0.00003298,0.00008146,0.00023783,-0.00006781,-
 0.00001774,-0.00019061,0.00015373,-0.00000808,0.00023100,-0.00007659,0
 .00044416,0.00009797,0.00012533,-0.00005614,-0.00013584,-0.00050736,-0
 .00063731,0.00002705,-0.00014990,0.00005930,-0.00002112,-0.00004008,-0
 .00004790,-0.00001101,-0.00003706,0.00000066,0.00000724,-0.00004774,-0
 .00002618,0.00033492,0.00018423,0.00022272,-0.00013870,-0.00012994,0.0
 0026499,0.00017627,0.00034042,0.00001006,0.03343203,0.65531166,0.00808
 915,0.00085591,0.00472038,0.00037968,-0.00093502,-0.00336716,0.0001930
 9,0.00125214,0.00578071,0.00024686,0.00052505,-0.00010903,0.00034031,-
 0.00021602,0.00005800,-0.00016486,-0.00019334,-0.00063316,0.03427477,-
 0.00124497,-0.05767588,-0.00000102,-0.00005602,-0.00012969,0.00001697,
 0.00000600,0.00010348,-0.00003260,-0.00001549,-0.00009937,-0.00001827,
 0.00009930,-0.00069163,0.00004770,-0.00000736,-0.00000691,-0.00011792,
 0.00003270,-0.00000431,0.00012980,-0.00003648,0.00001073,0.00000045,-0
 .00000016,0.00000972,-0.00001363,-0.00000129,-0.00000154,-0.00000006,-
 0.00000630,-0.00000105,-0.00005840,-0.00002908,-0.00001318,0.00000401,
 -0.00000943,0.00009068,-0.00000532,0.00000338,-0.00011735,-0.07737355,
 -0.06050181,0.13587456,-0.00191077,-0.01235025,0.00094416,-0.05192343,
 -0.01732000,0.00814830,0.00221765,0.00136793,-0.00041299,0.00084252,-0
 .00567554,0.00063286,-0.00559780,0.00364515,0.00039874,0.00589052,0.00
 597712,-0.00056045,-0.00032181,0.04024814,-0.00391201,0.00024453,-0.00
 029480,-0.00001735,-0.00022456,0.00022952,-0.00008578,0.00005254,-0.00
 013616,-0.00004266,-0.00095926,0.00017260,0.00043984,0.00035820,0.0001
 4983,0.00006660,-0.00150159,-0.00056076,-0.00066326,0.00028118,0.00002
 340,-0.00008615,-0.00010307,0.00005209,0.00006787,-0.00011177,0.000031
 50,-0.00002582,0.00017550,-0.00011383,-0.00001106,0.00156055,0.0004110
 1,0.00053541,0.00100004,0.00011726,0.00043239,-0.00066646,0.00002543,-
 0.00105823,-0.13408142,0.05848237,0.00195234,0.66914757,-0.03142439,-0
 .04325769,0.00761659,-0.05769573,0.02816351,0.00388740,0.02094532,0.00
 296439,-0.00291535,-0.00418375,-0.02237305,0.00324855,-0.01740531,0.01
 776174,0.00046761,0.02734958,0.00974380,-0.00367266,0.08526042,0.00392
 356,-0.01034978,0.00019228,0.00038182,-0.00009382,-0.00002977,0.000150
 41,-0.00007727,0.00050312,0.00005440,-0.00010299,-0.00102150,-0.000333
 58,-0.00054355,-0.00004391,-0.00014661,0.00010252,0.00041120,0.0006422
 4,0.00101541,-0.00003631,0.00022328,-0.00015699,0.00001510,0.00007656,
 0.00007052,0.00001500,0.00004220,0.00001100,-0.00001552,0.00004090,0.0
 0005818,-0.00041732,-0.00019752,-0.00032001,0.00027700,0.00023224,-0.0
 0029347,-0.00019498,-0.00045401,-0.00016576,-0.00781565,-0.26168306,0.
 02162392,0.03617500,0.67466220,0.00299624,0.00557254,-0.00587758,0.012
 37878,-0.00087783,-0.00100528,-0.00256836,-0.00054566,-0.00031299,0.00
 037885,0.00306357,-0.00026289,0.00254941,-0.00226831,0.00031513,-0.002
 80640,-0.00104776,0.00690604,-0.00872849,-0.00501589,0.00395271,-0.000
 06338,-0.00001255,-0.00008533,-0.00004368,-0.00011944,-0.00069400,-0.0
 0008836,-0.00002132,-0.00024036,0.00021756,-0.00000341,0.00016187,-0.0
 0003902,-0.00000814,-0.00001299,0.00016009,-0.00002059,-0.00003628,-0.
 00006490,0.00000925,0.00001658,0.00001563,-0.00001415,-0.00001851,0.00
 001346,-0.00001028,0.00000188,-0.00001689,0.00001041,-0.00000306,-0.00
 012653,-0.00001968,-0.00002675,-0.00015960,-0.00004148,-0.00006135,0.0
 0008160,0.00005177,0.00018948,0.00897869,0.01365296,-0.06861341,-0.065
 23968,-0.05907473,0.17321712,0.00455519,0.05428952,-0.00529577,-0.2808
 1038,0.04232914,0.02180072,-0.01125768,-0.00388125,0.00236826,0.000031
 66,0.01966634,-0.00253320,0.02021308,-0.01837590,-0.00003385,-0.061105
 35,-0.01279515,0.00931963,-0.04727335,-0.01426461,0.00691676,0.0001358
 9,-0.00028550,0.00002580,-0.00013307,-0.00013813,0.00003441,0.00130807
 ,0.00151102,-0.00062381,0.00165722,0.00012914,0.00008255,-0.00021173,-
 0.00000552,-0.00013271,0.00027197,-0.00008327,-0.00024508,-0.00019344,
 -0.00017096,0.00015594,0.00004685,-0.00008662,-0.00007708,0.00004129,-
 0.00002555,-0.00000383,-0.00008586,0.00006535,-0.00003782,-0.00055507,
 -0.00012690,-0.00015075,-0.00073351,-0.00025721,-0.00022592,0.00042098
 ,0.00029746,0.00087784,0.04909466,-0.03674174,-0.00086961,-0.20134083,
 -0.07664218,0.02425595,0.68044925,0.04014820,0.00256608,-0.00425343,0.
 07120702,-0.12994566,-0.00110888,-0.00438809,-0.00687519,0.00164074,0.
 00023012,0.00485692,-0.00068244,0.00117314,-0.00837339,0.00126630,-0.0
 3329906,0.00947077,0.00347999,-0.01677879,-0.00663984,0.00256502,0.001
 52092,-0.00037490,-0.00010194,-0.00135411,0.00025160,0.00014535,-0.001
 11216,0.00102862,-0.00026609,0.00052827,0.00018418,-0.00019281,-0.0000
 8269,-0.00013630,-0.00000395,0.00042256,0.00007241,0.00018748,-0.00000
 205,-0.00000524,0.00001881,0.00001114,-0.00003574,0.00000316,0.0000116
 3,0.00007639,-0.00006941,-0.00003726,0.00010569,-0.00002983,-0.0004813
 4,-0.00010171,-0.00016134,-0.00039138,-0.00000943,-0.00021313,0.000228
 68,-0.00005448,0.00047199,-0.00242419,-0.04700618,0.00626219,-0.137339
 52,-0.25792322,0.03679644,-0.00603453,0.73388092,-0.00395618,-0.006031
 78,0.00835107,0.01879366,0.00225437,-0.06374940,0.00231597,0.00166082,
 0.00394756,-0.00001854,-0.00296287,-0.00048893,-0.00194654,0.00370769,
 0.00519614,0.01157467,0.00112080,0.00344625,0.00719353,0.00219803,-0.0
 0283621,-0.00015956,0.00006170,0.00008172,0.00020947,0.00000477,0.0000
 7548,-0.00036752,-0.00059710,-0.00257652,-0.00046435,-0.00013990,-0.00
 052474,0.00002118,0.00000464,0.00002472,-0.00010739,0.00003902,-0.0000
 9271,0.00006278,0.00011804,-0.00004114,-0.00000132,0.00002124,0.000010
 65,0.00000241,-0.00001911,0.00001244,0.00001060,-0.00002462,0.00000601
 ,0.00006358,0.00000508,0.00004608,0.00009198,0.00004654,0.00013133,-0.
 00001679,-0.00009024,-0.00019507,-0.00447650,0.01037309,0.00884334,0.0
 3073246,0.02960345,-0.07436723,-0.06631260,-0.06448787,0.13797793,-0.0
 0395381,0.00336729,-0.00007333,0.00959085,-0.00620589,0.00009714,0.001
 36067,-0.00100191,-0.00009772,-0.00183892,0.00117832,0.00002030,0.0010
 6696,-0.00024680,-0.00016990,-0.00383429,0.00067796,0.00037747,0.00087
 777,0.00091004,0.00042817,-0.00016132,0.00032569,-0.00002214,-0.000364
 38,-0.00015455,0.00006328,0.00007478,-0.00013974,0.00003937,0.00072255
 ,-0.00026970,-0.00085024,-0.00049822,-0.00032214,-0.00005231,0.0019391
 0,0.00095489,0.00140663,-0.00039708,0.00009948,0.00007883,0.00013840,-
 0.00004430,-0.00004437,0.00014048,-0.00000233,0.00001221,-0.00021476,0
 .00018799,0.00002567,-0.00213036,-0.00060213,-0.00081927,-0.00110239,-
 0.00005209,-0.00080833,0.00069366,-0.00022095,0.00139084,-0.02663786,0
 .01619700,0.00245919,-0.25931745,0.07235233,0.01852500,-0.06631803,0.0
 0002465,0.00897871,0.53457595,0.00267256,0.00232914,-0.00064234,0.0002
 2935,-0.00532642,0.00109639,-0.00167045,0.00024113,0.00010701,0.000726
 57,0.00136760,-0.00022934,0.00075051,-0.00172257,0.00004470,-0.0024407
 6,0.00017236,0.00030365,-0.00637359,-0.00697742,0.00202775,-0.00012597
 ,-0.00001460,0.00002413,-0.00011031,0.00004499,0.00000564,0.00003123,0
 .00002719,-0.00000433,0.00001421,0.00008550,0.00012319,0.00003491,0.00
 003884,-0.00000454,-0.00014026,-0.00015125,-0.00020775,0.00006143,-0.0
 0002968,-0.00000597,-0.00001303,-0.00000449,0.00000084,-0.00001212,0.0
 0000001,-0.00000555,0.00001373,-0.00001783,-0.00000330,0.00019498,0.00
 008471,0.00009440,0.00004819,0.00001459,0.00010898,-0.00001882,0.00002
 480,-0.00010796,0.04500107,-0.00906673,-0.00359332,0.03408905,-0.12709
 272,0.00496890,-0.03266659,0.01847005,0.00284795,0.04784478,0.32138748
 ,0.00007821,-0.00074538,-0.00084327,-0.00055360,0.00185944,0.00501310,
 -0.00002678,0.00005530,-0.00035822,0.00015071,-0.00025977,0.00011891,-
 0.00023483,0.00017168,-0.00028607,0.00073067,-0.00008163,0.00013745,0.
 00118607,0.00116157,0.00477061,0.00003319,-0.00004039,0.00000598,0.000
 04549,0.00001052,-0.00003382,-0.00000382,0.00002048,0.00005542,-0.0000
 7841,0.00003321,0.00006602,0.00006111,0.00003166,0.00000096,-0.0002092
 4,-0.00009751,-0.00018838,0.00004391,-0.00002685,-0.00000341,-0.000014
 86,0.00000796,0.00000858,-0.00001755,0.00000034,-0.00000055,0.00002421
 ,-0.00002181,-0.00000342,0.00022719,0.00006288,0.00010324,0.00011651,0
 .00000672,0.00013084,-0.00007766,0.00002112,-0.00018403,-0.00059191,-0
 .00012360,0.00817826,0.02259239,0.00035795,-0.04447997,0.01245243,-0.0
 0107889,0.00697590,-0.06164074,-0.03300504,0.07586052,0.00133589,-0.00
 022789,-0.00008655,-0.00202878,-0.00084313,0.00063295,-0.00078031,0.00
 012916,0.00005375,0.00053166,0.00007764,-0.00006085,-0.00007314,-0.000
 30066,0.00002235,0.00026875,0.00008950,-0.00006234,-0.00120834,-0.0022
 2820,0.00040765,0.00003747,-0.00009347,0.00000940,0.00005739,0.0000570
 9,-0.00001125,-0.00005084,-0.00000394,0.00000796,-0.00020405,0.0000773
 5,0.00024995,0.00014360,0.00008942,0.00001448,-0.00061527,-0.00028208,
 -0.00037981,0.00010670,-0.00002924,-0.00001817,-0.00004187,0.00001255,
 0.00001312,-0.00004335,0.00000252,-0.00000469,0.00006589,-0.00005177,-
 0.00000936,0.00064547,0.00017342,0.00023455,0.00034163,0.00000389,0.00
 019921,-0.00021623,0.00007790,-0.00038096,0.00300304,0.00030209,-0.000
 56559,-0.05204893,-0.02432636,0.00807582,0.00126224,0.00453951,-0.0003
 5703,-0.13699558,-0.04654793,0.01445016,0.54171460,0.00142536,0.000252
 41,-0.00014340,-0.00042420,0.00087171,0.00021381,-0.00078118,0.0001103
 5,0.00006319,0.00050406,0.00022981,-0.00007678,0.00017002,-0.00034671,
 -0.00000146,0.00038911,-0.00037471,-0.00001964,-0.00111643,-0.00119128
 ,0.00027686,0.00006085,-0.00010647,0.00000703,0.00010721,0.00003931,-0
 .00001590,-0.00006030,0.00000219,0.00000751,-0.00016826,0.00007102,0.0
 0024166,0.00013943,0.00009399,0.00001218,-0.00053558,-0.00025821,-0.00
 039544,0.00009973,-0.00003411,-0.00001373,-0.00003734,0.00001195,0.000
 00755,-0.00003947,-0.00000190,0.00000027,0.00005990,-0.00005188,-0.000
 00967,0.00058066,0.00015301,0.00022509,0.00029454,-0.00001151,0.000219
 98,-0.00019062,0.00008901,-0.00037030,0.00861335,0.00077200,-0.0012714
 9,-0.00367499,0.01245370,-0.00157326,0.00526673,-0.00082799,-0.0002974
 0,-0.07722201,-0.16225932,0.02037674,-0.08455105,0.52536097,-0.0002768
 4,0.00003196,0.00030188,0.00056676,0.00025917,0.00220507,0.00014320,-0
 .00005199,-0.00031362,-0.00012782,-0.00003835,-0.00000685,-0.00003342,
 0.00004538,-0.00023200,-0.00010372,0.00000499,-0.00018642,0.00028589,0
 .00041610,0.00013498,-0.00000737,0.00002489,0.00001865,-0.00001683,-0.
 00000819,0.00003855,0.00002024,0.00000757,0.00006106,0.00005752,-0.000
 01364,-0.00000640,-0.00003668,-0.00001612,0.00000498,0.00011295,0.0000
 5396,0.00016508,-0.00002962,0.00000237,0.00000580,0.00000800,-0.000004
 46,-0.00000880,0.00001107,0.00000180,0.00000096,-0.00001392,0.00001208
 ,0.00000250,-0.00012260,-0.00003408,-0.00007475,-0.00005102,0.00000545
 ,-0.00011687,0.00003870,-0.00001822,0.00012618,-0.00144501,-0.00026571
 ,-0.00119900,0.00587404,0.00092108,-0.00727172,-0.00043093,-0.00021235
 ,0.00241017,0.01771887,0.01669368,-0.06196025,0.01179019,0.01438056,0.
 56228336,0.00965025,-0.02025751,0.00132071,-0.00276378,-0.00252592,0.0
 0121037,0.00119071,-0.00131112,-0.00040984,0.00011653,0.00052176,-0.00
 006714,0.00027901,-0.00021325,-0.00003186,0.00043553,-0.00101600,0.000
 06685,-0.08124661,0.07487431,-0.00227967,-0.00022159,0.00058908,0.0000
 1549,-0.00002133,0.00004493,0.00000415,-0.00022545,-0.00024877,0.00007
 839,-0.00001090,0.00002582,0.00003862,0.00001852,-0.00002536,0.0000276
 1,-0.00006193,-0.00004011,-0.00005593,0.00001971,0.00000540,-0.0000017
 0,-0.00000935,-0.00000199,0.00000821,-0.00001870,0.00001875,-0.0000239
 5,0.00001398,0.00001446,-0.00000993,0.00006723,0.00002396,0.00003145,0
 .00002143,0.00002452,0.00001532,-0.00000059,-0.00003075,-0.00001865,-0
 .00565196,0.03079000,-0.00221885,-0.00485249,-0.00046009,0.00167288,-0
 .00074978,-0.00025714,-0.00001197,-0.00094742,0.00176425,-0.00009138,0
 .00050538,0.00034838,-0.00010320,0.08341603,0.00866393,-0.01863693,0.0
 0118412,-0.00411248,-0.00103811,0.00112845,0.00188684,0.00105477,-0.00
 070431,-0.00037240,-0.00003377,0.00005667,-0.00013664,0.00023680,-0.00
 002275,0.00112852,-0.00085970,-0.00003744,0.07539335,-0.30909097,0.019
 82822,-0.00103783,0.00047269,0.00011582,-0.00005528,0.00004838,0.00000
 687,-0.00027004,-0.00026060,0.00008412,0.00002362,-0.00002938,0.000009
 13,-0.00001582,-0.00004667,0.00000929,-0.00000874,-0.00000375,0.000084
 74,-0.00000880,0.00001054,-0.00001028,-0.00000839,-0.00000381,0.000014
 06,-0.00001321,0.00002017,-0.00001918,0.00000194,0.00002370,-0.0000008
 7,-0.00001169,0.00000516,-0.00003111,-0.00000436,0.00005422,-0.0000748
 8,0.00001327,-0.00008648,0.00006982,0.00052810,-0.00348436,0.00059503,
 0.00082733,0.00221144,0.00057693,-0.00054790,0.00048732,-0.00009585,0.
 00028700,-0.00036050,-0.00001232,-0.00019584,-0.00018107,0.00003763,-0
 .08220395,0.32861694,-0.00175474,0.00468424,0.00240011,0.00137344,0.00
 095216,0.00491391,-0.00068654,-0.00025129,-0.00291531,0.00000230,-0.00
 007412,-0.00017383,-0.00004141,0.00000357,-0.00008428,-0.00014373,0.00
 021363,0.00004248,-0.00230006,0.01987246,-0.03610303,0.00016044,-0.000
 11272,0.00021771,0.00001451,-0.00000412,0.00005072,0.00007617,0.000074
 38,0.00016848,0.00000851,-0.00001910,0.00017599,-0.00001423,0.00000189
 ,0.00003098,-0.00000452,-0.00001893,0.00010488,-0.00003822,0.00001678,
 0.00000071,0.00000750,0.00000849,-0.00002912,0.00000616,0.00000688,0.0
 0001572,-0.00000249,-0.00000617,-0.00000625,0.00003701,0.00000992,-0.0
 0002346,0.00001945,0.00003808,-0.00011918,-0.00000885,-0.00005380,0.00
 007912,0.00096106,-0.00302471,0.00299476,0.00153260,0.00074112,0.00840
 936,0.00001663,-0.00012802,-0.00104663,0.00006316,-0.00018708,-0.00012
 599,-0.00004664,-0.00002828,-0.00004686,0.00157464,-0.02209447,0.02640
 773,-0.00420090,0.00313022,0.00123370,-0.00053024,0.00055382,-0.000090
 34,-0.00000617,-0.00128223,0.00019957,-0.00053410,-0.00003005,-0.00001
 197,-0.00013391,0.00029505,0.00000617,0.00030496,-0.00000922,-0.000105
 02,-0.01710444,-0.02438403,0.00483620,-0.00001326,0.00004676,0.0000142
 5,-0.00000881,-0.00001566,0.00000326,-0.00001841,-0.00004240,0.0000138
 9,-0.00001798,-0.00012661,-0.00002986,-0.00001385,-0.00001806,-0.00000
 464,0.00004577,0.00003974,0.00011483,-0.00004787,0.00000744,0.00000142
 ,0.00000614,0.00000032,0.00000056,0.00000655,-0.00000075,0.00000105,-0
 .00000900,0.00000652,0.00000399,-0.00007676,-0.00002180,-0.00005340,-0
 .00002158,0.00000707,-0.00005873,0.00002279,-0.00001567,0.00005880,-0.
 17993312,-0.13660494,0.03221247,0.01048475,0.00593229,-0.00152613,-0.0
 0006029,0.00238234,0.00022921,-0.00058386,-0.00164028,-0.00000765,-0.0
 0231357,0.00194303,0.00009311,0.00108615,0.00015418,-0.00071729,0.1959
 0797,0.00260533,0.00088800,0.00052190,0.00129154,-0.00000897,-0.000233
 87,-0.00017332,0.00025491,0.00004668,0.00012630,0.00032661,-0.00011258
 ,0.00023686,-0.00024562,0.00001228,-0.00040443,-0.00008442,-0.00000453
 ,0.00600243,0.00936694,-0.00150769,-0.00000232,-0.00000853,0.00002088,
 -0.00001366,-0.00000443,0.00000189,0.00003754,0.00004479,-0.00000360,0
 .00004666,0.00002876,-0.00003174,-0.00001252,-0.00000025,-0.00000295,0
 .00003880,0.00001106,0.00001917,0.00000507,-0.00000385,0.00000388,0.00
 000294,-0.00000170,-0.00000387,0.00000352,-0.00000101,0.00000218,-0.00
 000486,0.00000252,-0.00000035,-0.00004086,-0.00001052,-0.00001353,-0.0
 0002803,-0.00000593,-0.00001564,0.00001670,0.00000427,0.00003387,-0.13
 614366,-0.21250393,0.03539884,-0.02322277,-0.01567980,0.00475078,0.003
 32091,-0.00470182,0.00051605,0.00009367,0.00169680,-0.00041106,-0.0007
 7924,-0.00099469,0.00021604,-0.00031800,0.00088554,-0.00055823,0.14761
 286,0.22028259,0.00126735,0.00047459,0.00859436,-0.00015789,-0.0001594
 9,-0.00073801,0.00009649,0.00019461,0.00046467,-0.00002558,-0.00011772
 ,-0.00051039,0.00000799,0.00001038,0.00017025,-0.00006299,-0.00005227,
 -0.00057042,0.00163502,0.00214765,0.00146320,0.00002778,0.00001378,0.0
 0017329,0.00000120,0.00000314,-0.00000273,0.00000452,0.00000665,0.0000
 4964,-0.00000014,0.00001528,-0.00016174,0.00000796,0.00000373,0.000016
 09,-0.00005774,0.00000542,0.00007173,0.00003679,-0.00001404,0.00001078
 ,-0.00000202,0.00000241,-0.00000404,0.00000087,0.00000122,-0.00000097,
 0.00000051,-0.00000387,-0.00000333,0.00001352,-0.00000330,-0.00002192,
 0.00002312,0.00000126,-0.00004711,-0.00001306,0.00000468,0.00001877,0.
 03214725,0.03542070,-0.03963700,0.00154714,0.00126396,0.00254249,0.000
 13148,0.00062897,0.00387187,-0.00019496,-0.00020414,-0.00207068,0.0003
 7620,-0.00010868,0.00013451,-0.00067043,-0.00060922,-0.00461060,-0.036
 38569,-0.03856289,0.03144667,-0.00504301,-0.00044761,0.00125397,-0.004
 98917,0.02919850,-0.00221496,0.00016293,0.00153521,-0.00011415,0.00010
 618,0.00011172,-0.00005238,0.00016330,-0.00034166,-0.00000759,0.001545
 96,0.00141751,-0.00076533,-0.00084551,-0.00029322,0.00006970,-0.000440
 14,0.00010452,0.00005486,-0.00000412,-0.00000713,0.00003038,-0.0002334
 4,-0.00096412,0.00016601,0.00000484,-0.00008005,-0.00000851,-0.0000198
 5,0.00001067,-0.00000827,0.00002268,0.00003482,0.00004707,-0.00003333,
 0.00000365,0.00000687,0.00000682,-0.00000014,-0.00000826,0.00000667,-0
 .00001961,0.00001606,-0.00000813,-0.00001018,0.00000515,-0.00003926,-0
 .00002272,-0.00002285,-0.00001114,-0.00001934,-0.00003121,0.00001435,0
 .00001856,0.00004016,-0.00283031,-0.00258948,0.00125623,0.01048218,-0.
 02044752,0.00165937,-0.08417655,0.08186071,-0.00262462,0.00136215,0.00
 062745,-0.00069711,-0.00000404,0.00000495,-0.00009652,0.00005803,0.000
 07510,-0.00011436,0.00034458,-0.00111393,0.00008428,0.08426142,0.00074
 784,0.00181799,0.00027828,0.00137082,-0.00310457,0.00043607,-0.0005029
 1,-0.00037455,0.00013786,-0.00001296,0.00042187,-0.00006110,0.00048970
 ,-0.00008453,-0.00007465,-0.00167026,0.00072007,-0.00024263,-0.0005897
 2,0.00055065,-0.00004167,0.00008384,-0.00002332,0.00001380,0.00005355,
 -0.00000882,0.00001983,0.00054700,0.00039592,-0.00008753,0.00000830,0.
 00003261,0.00003194,0.00000748,0.00000551,0.00000778,-0.00006573,-0.00
 004055,-0.00006669,0.00001723,-0.00000490,0.00000109,-0.00000595,-0.00
 000181,0.00000147,-0.00000495,0.00000288,-0.00000742,0.00000583,-0.000
 00113,-0.00000135,0.00007063,0.00002315,0.00003228,0.00002473,0.000007
 28,0.00003241,-0.00001795,0.00000054,-0.00004093,-0.00399561,-0.001676
 44,0.00122516,0.01066837,-0.01930505,0.00142862,0.07984543,-0.30867614
 ,0.01978552,0.00133222,0.00164608,-0.00074969,-0.00035647,0.00016267,-
 0.00006099,0.00003540,-0.00008475,-0.00008420,0.00055718,-0.00087307,0
 .00003518,-0.08882918,0.32829115,0.00115493,0.00040658,0.00507818,0.00
 068650,-0.00289398,0.00262924,0.00008855,-0.00009966,0.00036427,-0.000
 03375,-0.00008044,-0.00012792,-0.00010672,0.00003632,-0.00021294,-0.00
 041346,-0.00062428,-0.00334948,0.00011323,-0.00008056,-0.00054363,0.00
 006418,0.00000157,0.00017660,0.00002305,0.00002807,0.00024236,0.000000
 67,0.00010721,0.00024745,-0.00000313,0.00000460,0.00002338,-0.00000937
 ,0.00000107,0.00000724,-0.00001643,-0.00000141,0.00007289,0.00000558,0
 .00000041,-0.00000153,-0.00000252,-0.00000333,-0.00000792,0.00000375,0
 .00000559,-0.00000154,-0.00000409,0.00000349,-0.00000328,0.00001016,-0
 .00000067,-0.00002227,0.00002335,-0.00000208,-0.00005763,-0.00000266,0
 .00000654,0.00003208,0.00140279,0.00106149,0.00504225,-0.00168256,0.00
 514904,0.00575574,-0.00235396,0.01953957,-0.03511670,-0.00076531,-0.00
 066426,-0.00371167,-0.00005930,-0.00010497,-0.00078554,-0.00010939,-0.
 00008655,-0.00080521,-0.00009046,0.00023825,0.00007528,0.00211060,-0.0
 2190790,0.02498141,0.00034851,0.00060763,-0.00015196,0.00082750,-0.000
 28699,-0.00044113,-0.00026757,-0.00003509,0.00014554,0.00003885,0.0003
 3272,-0.00004096,0.00026533,-0.00024497,0.00002279,-0.00036671,-0.0001
 4225,0.00010538,-0.00095973,-0.00019705,-0.00031179,-0.00000545,-0.000
 00069,0.00000132,0.00000064,-0.00000421,-0.00000614,-0.00000082,0.0000
 0407,-0.00000689,0.00001714,0.00000303,-0.00001687,-0.00000098,-0.0000
 0055,-0.00000239,-0.00000432,-0.00000373,-0.00000372,0.00000109,-0.000
 00258,0.00000224,0.00000082,-0.00000125,-0.00000099,0.00000009,-0.0000
 0047,-0.00000005,-0.00000082,0.00000048,-0.00000075,-0.00000396,-0.000
 00072,-0.00000103,-0.00000711,-0.00000307,-0.00000247,0.00000408,0.000
 00412,0.00001060,0.00050221,0.00084302,-0.00000854,0.00568309,-0.00135
 675,0.00147882,-0.00161465,-0.00053958,-0.00030584,-0.00386468,-0.0208
 7334,0.02555067,-0.06108726,0.02609238,-0.04627837,-0.00001292,0.00000
 738,0.00006220,-0.00125587,0.00039460,0.00124378,0.00008044,0.00012460
 ,0.00017784,0.06324872,-0.00030442,0.00010773,0.00008980,0.00035794,-0
 .00011997,-0.00028817,0.00013207,-0.00003016,-0.00002175,-0.00010997,-
 0.00000483,0.00000172,0.00000999,0.00003874,0.00000893,-0.00011508,0.0
 0002703,0.00002792,0.00009408,0.00010961,0.00004489,-0.00000951,0.0000
 2087,0.00000087,-0.00001970,-0.00000976,0.00000131,0.00001302,-0.00000
 108,0.00000020,0.00003809,-0.00001729,-0.00004521,-0.00002960,-0.00001
 687,-0.00000272,0.00010983,0.00005466,0.00009764,-0.00002265,0.0000066
 4,0.00000326,0.00000787,-0.00000269,-0.00000360,0.00000875,-0.00000013
 ,0.00000157,-0.00001271,0.00001049,0.00000219,-0.00012011,-0.00003392,
 -0.00005267,-0.00005819,-0.00000221,-0.00006038,0.00003872,-0.00001256
 ,0.00008741,-0.00050645,0.00051627,-0.00031575,0.00512859,-0.00095517,
 -0.00040659,-0.00112494,-0.00022170,-0.00011493,-0.01026263,-0.0204167
 7,0.02264358,0.02281542,-0.10125465,0.09692894,-0.00005591,0.00003365,
 -0.00001738,0.00043706,0.00019444,-0.00037124,0.00009351,0.00011809,0.
 00015479,-0.01758512,0.11661103,0.00004702,-0.00003898,-0.00009093,-0.
 00038507,0.00007504,0.00007317,-0.00006548,-0.00003665,0.00002117,0.00
 006201,-0.00005152,0.00001238,-0.00007853,-0.00000996,0.00001410,0.000
 13468,0.00002103,-0.00001128,-0.00009342,-0.00054897,0.00011568,0.0000
 1640,-0.00000992,-0.00000651,0.00000700,0.00000336,-0.00000422,-0.0000
 1011,-0.00001264,-0.00000236,-0.00002093,0.00000144,0.00001966,0.00001
 265,0.00001084,-0.00000273,-0.00002345,-0.00001787,-0.00004923,0.00000
 831,-0.00000446,-0.00000295,-0.00000227,0.00000223,0.00000065,-0.00000
 230,-0.00000216,0.00000282,0.00000362,-0.00000565,-0.00000011,0.000037
 69,0.00001008,0.00002250,0.00001560,-0.00000543,0.00003724,-0.00001004
 ,0.00001269,-0.00004062,0.00043100,0.00101213,-0.00005529,-0.00301355,
 0.00112531,0.00072126,0.00086794,-0.00006631,-0.00025439,0.00871332,0.
 00695324,0.00097839,-0.04193859,0.09860512,-0.24050135,0.00005227,-0.0
 0000437,0.00000726,0.00002982,-0.00088358,-0.00017081,-0.00007619,-0.0
 0009413,-0.00002237,0.04187912,-0.11508420,0.25649091,0.00034402,0.000
 60477,-0.00007450,0.00097118,-0.00021671,0.00026902,-0.00027083,-0.000
 04445,-0.00006380,0.00002166,0.00033646,-0.00004648,0.00027004,-0.0002
 4389,-0.00004067,-0.00039707,-0.00015368,0.00002275,-0.00081066,0.0000
 2552,0.00053900,-0.00000871,0.00000064,-0.00000050,-0.00000012,-0.0000
 0396,0.00000581,0.00000263,0.00000821,0.00000476,0.00002746,0.00000386
 ,0.00001911,-0.00000558,-0.00000193,-0.00000233,0.00000845,-0.00000226
 ,-0.00000473,-0.00000651,-0.00000239,0.00000360,0.00000033,-0.00000168
 ,-0.00000039,0.00000062,-0.00000013,-0.00000099,-0.00000107,0.00000200
 ,-0.00000050,-0.00000859,-0.00000118,-0.00000099,-0.00001287,-0.000002
 48,-0.00000428,0.00000803,0.00000280,0.00001611,0.00035292,0.00054476,
 -0.00023544,0.00566096,-0.00194646,-0.00233227,-0.00162987,-0.00040024
 ,0.00073731,-0.01051686,-0.02578027,-0.01710398,-0.05090585,0.00396887
 ,0.00209614,-0.00003624,-0.00000404,-0.00005203,-0.00147284,0.00036860
 ,-0.00100536,0.00004704,0.00009840,-0.00021616,0.00113070,-0.00277553,
 -0.00617600,0.05431356,-0.00033823,0.00008016,-0.00006005,0.00046826,-
 0.00007416,0.00019513,0.00015279,-0.00002055,-0.00000647,-0.00012100,0
 .00000113,0.00002235,0.00001746,0.00004205,-0.00002281,-0.00013639,0.0
 0002222,-0.00000208,0.00012068,0.00021293,-0.00010284,-0.00001361,0.00
 002224,-0.00000462,-0.00002089,-0.00000980,0.00000577,0.00001466,0.000
 00106,-0.00000194,0.00004288,-0.00001439,-0.00005558,-0.00003010,-0.00
 002006,-0.00000530,0.00012104,0.00005816,0.00007291,-0.00002248,0.0000
 0486,0.00000361,0.00000862,-0.00000194,-0.00000128,0.00000843,-0.00000
 033,0.00000113,-0.00001325,0.00001119,0.00000193,-0.00013115,-0.000035
 43,-0.00004560,-0.00006928,-0.00000058,-0.00003643,0.00004253,-0.00001
 670,0.00007557,-0.00052046,0.00034357,0.00036568,0.00550866,-0.0011301
 8,-0.00050316,-0.00118954,-0.00014350,0.00038057,-0.01591250,-0.024556
 55,-0.01315840,0.00035396,-0.14831699,-0.12114914,-0.00005958,0.000038
 64,0.00002733,0.00053233,0.00040958,0.00016413,0.00006357,0.00009458,-
 0.00019573,0.00146754,0.01138308,0.01107451,0.00904770,0.17036995,-0.0
 0008425,-0.00014597,-0.00005983,0.00007169,-0.00000214,-0.00011692,0.0
 0010693,0.00005421,0.00002278,-0.00004271,-0.00002460,0.00001840,0.000
 01289,0.00006182,0.00000364,-0.00001237,0.00001275,0.00002170,0.000285
 71,0.00053650,-0.00013647,-0.00001403,0.00000444,-0.00000386,-0.000003
 65,-0.00000115,-0.00000420,0.00000576,0.00000992,-0.00000721,0.0000058
 6,0.00000234,-0.00001666,-0.00000378,-0.00000823,0.00000027,0.00000899
 ,0.00000834,-0.00000561,-0.00000163,0.00000315,0.00000093,0.00000070,-
 0.00000054,0.00000311,-0.00000047,0.00000141,-0.00000321,-0.00000078,0
 .00000304,-0.00000033,-0.00001625,-0.00000310,-0.00000009,-0.00001003,
 0.00000471,0.00000711,0.00000309,-0.00001027,0.00000078,-0.00040208,-0
 .00125296,0.00025077,0.00069329,-0.00035492,0.00090421,-0.00029164,0.0
 0016635,-0.00031950,-0.00244129,0.00499216,0.01174621,-0.00150890,-0.1
 2363833,-0.20354542,-0.00003001,0.00000012,0.00002641,0.00015947,0.000
 69435,-0.00013647,0.00004443,0.00004502,0.00003452,0.00098289,-0.01778
 677,-0.02030985,0.00221357,0.13609514,0.21161881,-0.00002841,0.0000394
 7,-0.00001221,0.00008231,-0.00040795,0.00003145,0.00004401,-0.00002506
 ,-0.00001159,-0.00003251,0.00000847,0.00000112,-0.00002312,-0.00004833
 ,0.00000638,-0.00015038,0.00010275,-0.00000021,0.00000788,0.00017071,-
 0.00000006,-0.00000413,0.00001415,-0.00000094,-0.00002344,-0.00000345,
 0.00000478,0.00000653,-0.00001071,0.00000172,0.00002867,-0.00001013,-0
 .00003230,-0.00002137,-0.00000955,-0.00000325,0.00010151,0.00004104,0.
 00005648,-0.00001464,0.00000292,0.00000179,0.00000649,-0.00000174,-0.0
 0000344,0.00000722,-0.00000146,0.00000252,-0.00001057,0.00000669,0.000
 00173,-0.00009874,-0.00002673,-0.00003551,-0.00005371,-0.00000440,-0.0
 0002809,0.00003591,-0.00000600,0.00005709,0.00020279,-0.00050968,0.000
 08066,0.00087985,-0.00396512,0.00036554,-0.00123895,0.00063326,0.00010
 923,-0.03286605,0.00430946,0.00360659,-0.24140231,0.11873285,0.0103571
 9,-0.00004741,0.00001684,0.00000931,0.00014716,0.00005328,-0.00007738,
 0.00000842,-0.00003689,0.00000407,-0.00269639,0.00382758,-0.00042252,0
 .00292409,0.00060734,0.00026860,0.27422931,0.00018513,0.00003061,-0.00
 003472,0.00013833,-0.00038056,0.00002504,-0.00004629,0.00004617,0.0000
 0341,0.00000672,0.00008869,-0.00001222,0.00007451,-0.00007618,-0.00000
 251,-0.00018515,0.00002094,0.00001527,-0.00011259,0.00056605,-0.000032
 14,-0.00001068,-0.00000024,0.00000131,-0.00000882,0.00000256,0.0000016
 8,0.00000293,0.00000460,-0.00000036,0.00000391,0.00000756,0.00000417,0
 .00000121,-0.00000120,-0.00000009,-0.00002873,-0.00000889,-0.00000421,
 0.00000201,0.00000016,0.00000059,-0.00000153,-0.00000048,0.00000152,-0
 .00000222,0.00000128,-0.00000195,0.00000247,0.00000050,-0.00000057,0.0
 0002135,0.00000508,0.00000519,0.00001183,0.00000236,-0.00000397,-0.000
 00786,-0.00000147,-0.00000232,0.00004073,-0.00139120,0.00018804,-0.002
 64171,-0.00319674,0.00070210,-0.00127704,0.00060145,0.00011230,-0.0331
 7364,0.01036561,0.00299119,0.13201582,-0.12446261,-0.00817038,-0.00005
 557,0.00000086,0.00001171,0.00055350,0.00073172,-0.00019092,0.00002545
 ,-0.00003139,0.00000124,0.01139683,-0.00613255,-0.00203020,0.01656871,
 -0.00875425,0.00053322,-0.12349961,0.13196156,-0.00002520,-0.00001683,
 -0.00007315,-0.00002518,0.00008953,-0.00000846,-0.00000363,-0.00000417
 ,-0.00002620,0.00000375,-0.00001011,0.00000420,-0.00000567,0.00001376,
 -0.00000447,0.00003219,-0.00001955,-0.00004790,0.00003004,-0.00006443,
 0.00015576,0.00000140,-0.00000180,-0.00000086,0.00000484,0.00000122,0.
 00000872,-0.00000056,0.00000123,0.00000356,-0.00000383,-0.00000065,0.0
 0000880,0.00000200,0.00000189,0.00000015,-0.00000876,-0.00000330,-0.00
 000170,0.00000067,0.00000031,-0.00000053,-0.00000089,-0.00000033,0.000
 00008,-0.00000051,0.00000014,-0.00000027,0.00000111,-0.00000079,0.0000
 0013,0.00000994,0.00000232,0.00000189,0.00000613,-0.00000093,-0.000000
 49,-0.00000286,0.00000215,-0.00000439,0.00002187,0.00025400,0.00039734
 ,0.00022112,0.00085768,0.00027585,0.00031223,-0.00011567,0.00020053,0.
 00758176,-0.00152768,0.00009933,0.00895229,-0.00656882,-0.05163787,0.0
 0001694,0.00000258,0.00004345,-0.00013060,-0.00013091,-0.00041738,-0.0
 0000281,0.00000856,0.00000671,-0.02408327,0.01447635,0.00300779,0.0214
 3424,-0.01313433,0.00000598,-0.01433874,0.00588857,0.04800339\\0.00000
 399,-0.00000093,-0.00000026,0.00000064,0.00000368,0.00000082,-0.000002
 61,-0.00000208,-0.00000202,-0.00000254,0.00000063,-0.00000102,0.000001
 96,-0.00000245,-0.00000027,-0.00000291,-0.00000191,0.00000099,-0.00000
 272,0.00000008,-0.00000003,0.00000308,0.00000052,0.00000054,-0.0000010
 1,0.00000284,0.00000134,0.00000120,0.00000098,0.00000239,0.00000520,0.
 00000792,-0.00000308,-0.00000208,0.00000576,0.00000459,0.00000002,-0.0
 0000670,-0.00000604,-0.00000295,0.00000018,-0.00000216,-0.00000034,0.0
 0000044,-0.00000319,-0.00000071,-0.00000072,-0.00000090,-0.00000074,0.
 00000242,-0.00000113,-0.00000144,0.00000089,0.00000240,0.00000126,0.00
 000354,0.00001120,-0.00000034,-0.00000362,-0.00000179,0.00000255,-0.00
 000697,-0.00000046,0.00000413,0.00000754,-0.00000111,-0.00000444,-0.00
 000410,0.00000129,-0.00000102,-0.00000265,0.00000097,-0.00000271,-0.00
 000141,-0.00000012,0.00000159,-0.00000096,-0.00000135,0.00000294,0.000
 00022,-0.00000167,-0.00000014,0.00000006,0.00000105,-0.00000018,-0.000
 00156,-0.00000051,-0.00000006,-0.00000052,-0.00000047,0.00000041,-0.00
 000113,-0.00000001\\\@


 I LOVE THOSE WHO LONG FOR THE IMPOSSIBLE.

                                 -- GOETHE
 Job cpu time:       0 days 22 hours 16 minutes 15.3 seconds.
 Elapsed time:       0 days  2 hours 47 minutes 27.6 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 01:01:56 2021.
